##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_database_code_depnum_ccdc_archive 'CCDC 1920829'
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_journal_date_recd_electronic     2019-05-09
_journal_date_accepted     2019-06-04
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2019
_journal_volume     75
_journal_issue      7
_journal_page_first     972
_journal_page_last     975
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989019008053
_journal_coeditor_code     ZQ2247
_publ_contact_author_name     'Dr Dennis Wiedemann'
_publ_contact_author_address
;
Institut für Chemie
Technische Universität Berlin
Stra\&e des 17. Juni 135
10623 Berlin
Germany
;
_publ_contact_author_email     'dennis.wiedemann@chem.tu-berlin.de'
_publ_contact_author_fax     '+49 30 314-79656'
_publ_contact_author_phone     '+49 30 314-26178'
_publ_section_title
;\
Synthesis, characterization, and crystal structure of
aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-tartrato(4-)]\
dicopper(II) octahydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Wiedemann, Dennis' .
;
Institut für Chemie
Technische Universität Berlin
Strasse des 17. Juni 135
10623 Berlin
Germany
;
    'Kulko, Roman-David' .
;
Institut für Chemie
Technische Universität Berlin
Strasse des 17. Juni 135
10623 Berlin
Germany
;
    'Grohmann, Andreas' .
;
Institut für Chemie
Technische Universität Berlin
Strasse des 17. Juni 135
10623 Berlin
Germany
;
_publ_section_synopsis
;
The title compound crystallized from the mock-up of a typical electroless
copper bath (ECB) as used to deposit copper on printed circuit boards,
consisting of a copper(II) salt, soda lye, L-(+)-tartrate as a
complexing agent, and 2,2'-bypyridine derivative as a stabilizer. Its
layer-like crystal structure is dominated by extensive π stacking and
classical hydrogen bonding.
;
_chemical_name_systematic
;\
Aqua-1κO-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ²N,\
N';2κ²N,N'-[μ-(2R,3R)-2,3-\
dioxidosuccinato-1κ²O¹,O²:2κ²O³,\
O⁴]dicopper(II) octahydrate
;
_chemical_name_common
;
Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2R,3R)-\
tartrato(4-)]dicopper(II) octahydrate
;
_chemical_formula_moiety     'C28 H28 Cu2 N4 O11, 8(H2 O)'
_chemical_formula_sum     'C28 H44 Cu2 N4 O19'
_chemical_formula_iupac     '[Cu2 (C12 H12 N2 O2)2 (C4 H2 O6) (H2 O)], 8H2 O'
_chemical_formula_weight     867.75
_chemical_absolute_configuration     rmad
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21 1'
_space_group_name_Hall     'P 2yb'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     8.5134(4)
_cell_length_b     23.7812(9)
_cell_length_c     8.9028(4)
_cell_angle_alpha     90
_cell_angle_beta     101.401(4)
_cell_angle_gamma     90
_cell_volume     1766.87(13)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     8483
_cell_measurement_theta_min     3.6720
_cell_measurement_theta_max     32.4580
_cell_measurement_temperature     150.00(10)
_exptl_crystal_description     plate
_exptl_crystal_colour     'dark blue'
_exptl_crystal_size_max     0.835
_exptl_crystal_size_mid     0.701
_exptl_crystal_size_min     0.091
_exptl_crystal_density_diffrn     1.631
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     900
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    12 4 -1 0.3897
    0 -1 12 0.0457
    -12 -4 2 0.3999
    12 0 -3 0.3869
    0 -34 0 0.3304
    -1 33 0 0.3702
    2 33 0 0.3619
    0 1 -12 0.0456
    11 11 -3 0.4071
    7 28 -1 0.3950
_exptl_absorpt_coefficient_mu     1.291
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_absorpt_correction_T_min     0.440
_exptl_absorpt_correction_T_max     0.886
_diffrn_ambient_temperature     150.00(10)
_diffrn_source     'fine-focus sealed tube'
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Agilent Xcalibur'
_diffrn_measurement_device     'κ-geometry diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_measurement_specimen_support     'glass capillary'
_diffrn_detector_area_resol_mean     16.3031
_diffrn_reflns_number     19893
_diffrn_reflns_av_R_equivalents     0.0213
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_theta_min     3.472
_diffrn_reflns_theta_max     29.999
_diffrn_reflns_theta_full     26.000
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -33
_diffrn_reflns_limit_k_max     31
_diffrn_reflns_limit_l_min     -11
_diffrn_reflns_limit_l_max     12
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_diffrn_radiation_probe     x-ray
_refine_special_details
;
Hydrogen atoms were located on difference Fourier maps for
 the complex and most water molecules or inferred from neighbouring sites for
 the water molecule containing O68. Hydrogen positions were refined semi-freely
 for oxygen-bound atoms with d(O---H) ≃ 0.84(2) Å,
 d(H...H) ≃ 1.33 Å, and Uiso(H) = 1.2Ueq(O).
;
_reflns_number_total     8971
_reflns_number_gt     8476
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0309
_refine_ls_R_factor_gt     0.0280
_refine_ls_wR_factor_gt     0.0705
_refine_ls_wR_factor_ref     0.0718
_refine_ls_goodness_of_fit_ref     1.036
_refine_ls_restrained_S_all     1.038
_refine_ls_number_reflns     8971
_refine_ls_number_parameters     536
_refine_ls_number_restraints     25
_refine_ls_hydrogen_treatment     heteroxyz
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0455P)²+0.0799P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.487
_refine_diff_density_min     -0.496
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
_refine_ls_abs_structure_details
;
Flack x determined using 2429 quotients
[(I⁺)-(I⁻)]/[(I⁺)+(I⁻)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack     -0.010(6)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al.,
2008)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009) and publCIF (Westrip,
2010)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C11 1.2715(3) 0.41601(12) 1.1226(3) 0.0182(5) Uani d 1 . .
    H H11 1.283890 0.379796 1.168495 0.022 Uiso calc 1 . .
    C C12 1.3710(3) 0.45876(13) 1.1865(3) 0.0200(5) Uani d 1 . .
    H H12 1.451278 0.452042 1.275142 0.024 Uiso calc 1 . .
    C C13 1.3535(3) 0.51201(13) 1.1204(3) 0.0170(5) Uani d 1 . .
    C C14 1.2344(3) 0.52043(12) 0.9885(3) 0.0164(5) Uani d 1 . .
    H H14 1.219570 0.556191 0.940163 0.020 Uiso calc 1 . .
    C C15 1.1396(3) 0.47504(12) 0.9311(3) 0.0145(5) Uani d 1 . .
    C C17 1.4390(4) 0.60720(13) 1.1263(4) 0.0245(6) Uani d 1 . .
    H H17A 1.456712 0.606259 1.020808 0.037 Uiso calc 1 . .
    H H17B 1.518812 0.631776 1.188359 0.037 Uiso calc 1 . .
    H H17C 1.331302 0.621650 1.126726 0.037 Uiso calc 1 . .
    C C21 0.8061(3) 0.42851(13) 0.6374(3) 0.0193(5) Uani d 1 . .
    H H21 0.749051 0.394330 0.612752 0.023 Uiso calc 1 . .
    C C22 0.7652(3) 0.47396(13) 0.5435(3) 0.0200(5) Uani d 1 . .
    H H22 0.681591 0.471184 0.455702 0.024 Uiso calc 1 . .
    C C23 0.8477(3) 0.52418(13) 0.5782(3) 0.0178(5) Uani d 1 . .
    C C24 0.9754(3) 0.52630(12) 0.7051(3) 0.0159(5) Uani d 1 . .
    H H24 1.037174 0.559525 0.729475 0.019 Uiso calc 1 . .
    C C25 1.0079(3) 0.47817(11) 0.7933(3) 0.0145(5) Uani d 1 . .
    C C27 0.8802(4) 0.62092(14) 0.5171(4) 0.0300(7) Uani d 1 . .
    H H27A 0.865758 0.635393 0.616547 0.045 Uiso calc 1 . .
    H H27B 0.836620 0.647981 0.436580 0.045 Uiso calc 1 . .
    H H27C 0.994577 0.615298 0.519038 0.045 Uiso calc 1 . .
    C C31 0.3834(3) 0.43168(13) 0.6794(3) 0.0205(5) Uani d 1 . .
    H H31 0.349432 0.393596 0.668076 0.025 Uiso calc 1 . .
    C C32 0.3125(4) 0.46999(14) 0.5734(3) 0.0213(5) Uani d 1 . .
    H H32 0.230184 0.458718 0.490547 0.026 Uiso calc 1 . .
    C C33 0.3622(3) 0.52578(13) 0.5883(3) 0.0193(5) Uani d 1 . .
    C C34 0.4843(3) 0.54103(12) 0.7115(3) 0.0166(5) Uani d 1 . .
    H H34 0.521299 0.578745 0.724106 0.020 Uiso calc 1 . .
    C C35 0.5496(3) 0.49946(12) 0.8148(3) 0.0154(5) Uani d 1 . .
    C C37 0.3456(4) 0.61790(14) 0.4770(4) 0.0290(7) Uani d 1 . .
    H H37A 0.338665 0.637059 0.572958 0.043 Uiso calc 1 . .
    H H37B 0.280905 0.638229 0.390659 0.043 Uiso calc 1 . .
    H H37C 0.457485 0.616927 0.464978 0.043 Uiso calc 1 . .
    C C41 0.8415(3) 0.46603(13) 1.1602(3) 0.0192(5) Uani d 1 . .
    H H41 0.869537 0.433356 1.220971 0.023 Uiso calc 1 . .
    C C42 0.9236(3) 0.51491(13) 1.2011(3) 0.0213(6) Uani d 1 . .
    H H42 1.008567 0.515850 1.288088 0.026 Uiso calc 1 . .
    C C43 0.8816(3) 0.56337(13) 1.1140(3) 0.0204(5) Uani d 1 . .
    C C44 0.7578(3) 0.56044(12) 0.9846(3) 0.0168(5) Uani d 1 . .
    H H44 0.727153 0.592557 0.922194 0.020 Uiso calc 1 . .
    C C45 0.6817(3) 0.50923(12) 0.9505(3) 0.0160(5) Uani d 1 . .
    C C47 0.9181(4) 0.66188(15) 1.0865(5) 0.0335(7) Uani d 1 . .
    H H47A 0.933207 0.659815 0.980339 0.050 Uiso calc 1 . .
    H H47B 0.983627 0.692454 1.139794 0.050 Uiso calc 1 . .
    H H47C 0.804933 0.669051 1.087414 0.050 Uiso calc 1 . .
    C C51 0.5003(3) 0.28733(12) 0.9647(3) 0.0164(5) Uani d 1 . .
    C C54 0.6577(3) 0.29477(12) 1.0809(3) 0.0152(5) Uani d 1 . .
    H H54 0.664279 0.266896 1.165969 0.018 Uiso calc 1 . .
    C C56 0.7939(3) 0.28407(12) 0.9911(3) 0.0148(5) Uani d 1 . .
    H H56 0.776060 0.246864 0.938153 0.018 Uiso calc 1 . .
    C C58 0.9527(3) 0.28248(13) 1.1070(3) 0.0192(5) Uani d 1 . .
    N N10 1.1565(3) 0.42400(10) 0.9965(3) 0.0151(4) Uani d 1 . .
    N N20 0.9238(3) 0.43016(10) 0.7633(3) 0.0150(4) Uani d 1 . .
    N N30 0.4999(3) 0.44568(10) 0.7997(3) 0.0175(4) Uani d 1 . .
    N N40 0.7216(3) 0.46292(10) 1.0359(3) 0.0167(4) Uani d 1 . .
    O O16 1.4539(3) 0.55171(10) 1.1887(2) 0.0223(4) Uani d 1 . .
    O O26 0.7974(3) 0.56828(10) 0.4865(2) 0.0239(4) Uani d 1 . .
    O O36 0.2861(3) 0.56124(10) 0.4806(2) 0.0244(4) Uani d 1 . .
    O O46 0.9656(3) 0.60980(10) 1.1623(3) 0.0265(5) Uani d 1 . .
    O O50 0.4432(2) 0.33278(9) 0.8974(2) 0.0206(4) Uani d 1 . .
    O O52 0.4392(3) 0.24029(9) 0.9335(2) 0.0217(4) Uani d 1 . .
    O O53 0.6716(3) 0.34935(8) 1.1395(2) 0.0185(4) Uani d 1 . .
    O O55 0.7926(2) 0.32664(9) 0.8810(2) 0.0170(4) Uani d 1 . .
    O O57 1.0554(3) 0.31931(10) 1.0907(3) 0.0293(5) Uani d 1 . .
    O O59 0.9761(3) 0.24641(10) 1.2100(2) 0.0233(4) Uani d 1 . .
    O O60 1.1234(3) 0.32417(11) 0.7440(3) 0.0333(6) Uani d 1 . .
    H H60A 1.217(6) 0.321(2) 0.788(5) 0.040 Uiso d 1 . .
    H H60B 1.084(6) 0.300(2) 0.691(5) 0.040 Uiso d 1 . .
    Cu Cu1 0.98891(3) 0.36813(2) 0.91447(4) 0.01545(7) Uani d 1 . .
    Cu Cu2 0.59542(4) 0.39447(2) 0.96609(4) 0.01590(7) Uani d 1 . .
    O O61 0.4573(3) 0.17342(10) 0.1868(3) 0.0273(5) Uani d 1 . .
    H H61A 0.421(5) 0.1934(16) 0.245(4) 0.033 Uiso d 1 . .
    H H61B 0.450(5) 0.1945(16) 0.112(3) 0.033 Uiso d 1 . .
    O O62 0.6964(3) 0.27767(12) 0.6111(3) 0.0283(5) Uani d 1 . .
    H H62A 0.633(4) 0.2548(15) 0.623(5) 0.034 Uiso d 1 . .
    H H62B 0.720(5) 0.2935(17) 0.692(3) 0.034 Uiso d 1 . .
    O O63 0.7991(3) 0.14628(10) 0.1929(3) 0.0292(5) Uani d 1 . .
    H H63A 0.852(4) 0.1759(14) 0.196(5) 0.035 Uiso d 1 . .
    H H63B 0.703(3) 0.1559(18) 0.192(5) 0.035 Uiso d 1 . .
    O O64 0.4289(3) 0.21351(11) 0.6298(3) 0.0284(5) Uani d 1 . .
    H H64A 0.403(5) 0.2303(18) 0.701(3) 0.034 Uiso d 1 . .
    H H64B 0.364(4) 0.2296(18) 0.558(3) 0.034 Uiso d 1 . .
    O O65 0.3108(3) 0.25427(12) 0.3445(3) 0.0295(5) Uani d 1 . .
    H H65A 0.219(3) 0.2590(18) 0.297(4) 0.035 Uiso d 1 . .
    H H65B 0.359(5) 0.2835(13) 0.351(5) 0.035 Uiso d 1 . .
    O O66 0.5228(3) 0.34554(12) 0.3780(3) 0.0312(5) Uani d 1 . .
    H H66A 0.562(5) 0.3509(19) 0.306(3) 0.037 Uiso d 1 . .
    H H66B 0.582(4) 0.330(2) 0.446(4) 0.037 Uiso d 1 . .
    O O67 0.9808(3) 0.24228(14) 0.5446(3) 0.0396(6) Uani d 1 . .
    H H67A 0.887(4) 0.251(2) 0.552(5) 0.048 Uiso d 1 . .
    H H67B 0.982(6) 0.243(2) 0.452(3) 0.048 Uiso d 1 . .
    O O68 0.0583(5) 0.37893(15) 0.4180(4) 0.0594(9) Uani d 1 . .
    H H68A 0.037(7) 0.3483(18) 0.359(5) 0.071 Uiso d 1 . .
    H H68B 0.065(7) 0.366(2) 0.515(3) 0.071 Uiso d 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    C11 0.0168(12) 0.0151(13) 0.0211(12) -0.0010(10) 0.0000(9) 0.0043(10)
    C12 0.0184(12) 0.0220(14) 0.0180(12) -0.0040(11) -0.0004(10) 0.0012(11)
    C13 0.0165(11) 0.0191(13) 0.0158(11) -0.0048(10) 0.0038(9) -0.0034(10)
    C14 0.0170(11) 0.0150(12) 0.0175(11) -0.0018(10) 0.0042(9) 0.0004(10)
    C15 0.0121(11) 0.0158(13) 0.0157(11) -0.0003(9) 0.0033(9) -0.0004(9)
    C17 0.0309(15) 0.0152(13) 0.0274(14) -0.0069(11) 0.0058(12) -0.0028(11)
    C21 0.0177(12) 0.0203(14) 0.0196(12) -0.0036(10) 0.0031(9) -0.0013(11)
    C22 0.0165(12) 0.0229(14) 0.0189(12) -0.0005(10) -0.0007(9) 0.0004(11)
    C23 0.0169(12) 0.0186(13) 0.0179(11) 0.0022(10) 0.0032(9) 0.0026(10)
    C24 0.0151(11) 0.0148(12) 0.0183(11) 0.0004(9) 0.0048(9) -0.0007(10)
    C25 0.0140(11) 0.0145(12) 0.0157(10) 0.0014(9) 0.0046(9) -0.0005(9)
    C27 0.0337(16) 0.0181(15) 0.0348(16) 0.0021(12) -0.0014(13) 0.0074(12)
    C31 0.0218(12) 0.0159(13) 0.0233(12) -0.0016(10) 0.0030(10) -0.0001(11)
    C32 0.0222(12) 0.0211(14) 0.0193(12) -0.0021(11) 0.0008(10) 0.0011(11)
    C33 0.0220(13) 0.0204(14) 0.0161(11) 0.0038(11) 0.0055(10) 0.0036(10)
    C34 0.0209(12) 0.0122(12) 0.0179(11) 0.0012(10) 0.0068(9) 0.0015(9)
    C35 0.0167(11) 0.0138(12) 0.0167(11) 0.0005(9) 0.0061(9) -0.0003(10)
    C37 0.0421(18) 0.0213(16) 0.0224(14) 0.0019(13) 0.0037(13) 0.0062(12)
    C41 0.0242(13) 0.0146(13) 0.0189(12) 0.0047(10) 0.0043(10) 0.0012(10)
    C42 0.0209(13) 0.0214(15) 0.0200(12) 0.0027(11) 0.0007(10) -0.0017(11)
    C43 0.0208(13) 0.0176(13) 0.0239(12) -0.0001(10) 0.0074(10) -0.0036(11)
    C44 0.0189(12) 0.0129(12) 0.0195(11) 0.0005(10) 0.0057(9) -0.0012(10)
    C45 0.0179(11) 0.0147(13) 0.0174(11) 0.0021(9) 0.0079(9) 0.0004(10)
    C47 0.0354(17) 0.0169(15) 0.0461(19) -0.0074(13) 0.0026(14) 0.0008(14)
    C51 0.0161(11) 0.0152(13) 0.0193(12) -0.0019(10) 0.0067(9) 0.0033(10)
    C54 0.0177(11) 0.0101(12) 0.0176(11) -0.0009(9) 0.0028(9) 0.0014(9)
    C56 0.0144(11) 0.0133(12) 0.0155(10) -0.0021(9) 0.0002(8) 0.0000(9)
    C58 0.0179(12) 0.0160(13) 0.0216(12) -0.0012(10) -0.0012(9) 0.0015(10)
    N10 0.0141(9) 0.0144(11) 0.0161(9) -0.0022(8) 0.0014(8) 0.0000(8)
    N20 0.0142(9) 0.0138(11) 0.0168(9) 0.0004(8) 0.0024(7) 0.0007(8)
    N30 0.0196(10) 0.0129(11) 0.0199(10) 0.0012(9) 0.0038(8) 0.0013(9)
    N40 0.0190(10) 0.0131(11) 0.0184(10) 0.0024(9) 0.0044(8) 0.0000(9)
    O16 0.0244(10) 0.0199(11) 0.0207(9) -0.0093(8) -0.0003(8) -0.0036(8)
    O26 0.0247(10) 0.0198(10) 0.0241(10) 0.0019(8) -0.0026(8) 0.0062(8)
    O36 0.0289(11) 0.0200(11) 0.0218(9) 0.0034(9) -0.0011(8) 0.0063(8)
    O46 0.0256(10) 0.0192(11) 0.0326(11) -0.0032(9) 0.0005(8) -0.0027(9)
    O50 0.0162(9) 0.0165(10) 0.0281(10) -0.0012(8) 0.0017(8) 0.0054(8)
    O52 0.0233(10) 0.0175(10) 0.0240(9) -0.0051(8) 0.0039(8) 0.0022(8)
    O53 0.0294(10) 0.0093(9) 0.0169(8) 0.0006(7) 0.0048(7) -0.0002(7)
    O55 0.0145(8) 0.0188(10) 0.0166(8) -0.0041(7) 0.0007(6) 0.0039(7)
    O57 0.0209(10) 0.0231(12) 0.0374(12) -0.0077(9) -0.0102(9) 0.0142(10)
    O59 0.0221(10) 0.0192(10) 0.0262(10) -0.0021(8) -0.0013(8) 0.0067(9)
    O60 0.0181(10) 0.0263(13) 0.0525(15) 0.0028(9) -0.0001(10) -0.0113(11)
    Cu1 0.01300(13) 0.01261(15) 0.01936(14) -0.00242(12) -0.00014(10)
                                                                     0.00193(13)
    Cu2 0.01896(15) 0.01035(14) 0.01850(14) 0.00071(13) 0.00396(10) 0.00248(12)
    O61 0.0383(13) 0.0166(11) 0.0283(11) 0.0021(9) 0.0101(10) 0.0035(9)
    O62 0.0311(12) 0.0342(14) 0.0183(10) -0.0094(10) 0.0014(9) -0.0032(9)
    O63 0.0298(11) 0.0163(11) 0.0406(13) -0.0026(9) 0.0051(10) 0.0010(10)
    O64 0.0360(13) 0.0240(12) 0.0227(10) -0.0019(10) 0.0002(9) 0.0003(9)
    O65 0.0235(11) 0.0343(14) 0.0274(11) 0.0028(10) -0.0032(9) 0.0015(10)
    O66 0.0395(13) 0.0320(13) 0.0245(11) 0.0059(11) 0.0121(9) 0.0053(10)
    O67 0.0366(14) 0.0479(17) 0.0336(13) 0.0007(13) 0.0052(11) -0.0124(12)
    O68 0.085(2) 0.038(2) 0.0514(18) -0.0002(17) 0.0039(17) 0.0004(14)
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
 ------------------------------------------------------------------------
 l.s. plane 1
 ------------------------------------------------------------------------
 Equation (x, y, z in crystal coordinates):
 --6.8237(16) x + 5.2625(12) y + 6.259(2) z = 3.953(6)
 Defining atoms and their deviation from the plane:
 N30: --0.014(2) Å
 C31: --0.046(3) Å
 C32: --0.024(3) Å
 C33:  0.024(3) Å
 C34:  0.042(3) Å
 C35:  0.024(2) Å
 O36:  0.055(2) Å
 C37: --0.075(3) Å
 N40:  0.042(2) Å
 C41:  0.018(3) Å
 C42: --0.029(3) Å
 C43: --0.033(3) Å
 C44: --0.014(3) Å
 C45:  0.023(2) Å
 O46: --0.059(2) Å
 C47:  0.065(3) Å
 Rms deviation: 0.041 Å
 ------------------------------------------------------------------------
 l.s. plane 2
 ------------------------------------------------------------------------
 Equation (x, y, z in crystal coordinates):
 --6.6296(17) x + 6.166(11) y + 6.3561(18) z = 1.306(6)
 Defining atoms and their deviation from the plane:
 N10: --0.025(2) Å
 C11: --0.035(2) Å
 C12: --0.025(3) Å
 C13: --0.001(3) Å
 C14:  0.002(3) Å
 C15: --0.014(2) Å
 O16:  0.013(2) Å
 C17:  0.056(3) Å
 N20:  0.074(2) Å
 C21:  0.043(2) Å
 C22: --0.003(3) Å
 C23: --0.019(3) Å
 C24: --0.046(2) Å
 C25:  0.003(2) Å
 O26:  0.004(2) Å
 C27: --0.026(3) Å
 Rms deviation: 0.032 Å
 ------------------------------------------------------------------------
 Angle between planes 1 and 2: 2.70(4)°
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C11 H11 . 0.9500 ?
    C11 C12 . 1.373(4) ?
    C11 N10 . 1.350(3) ?
    C12 H12 . 0.9500 ?
    C12 C13 . 1.392(4) ?
    C13 C14 . 1.406(4) ?
    C13 O16 . 1.336(3) ?
    C14 H14 . 0.9500 ?
    C14 C15 . 1.384(4) ?
    C15 C25 . 1.491(4) ?
    C15 N10 . 1.342(4) ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    C17 O16 . 1.428(4) ?
    C21 H21 . 0.9500 ?
    C21 C22 . 1.368(4) ?
    C21 N20 . 1.349(3) ?
    C22 H22 . 0.9500 ?
    C22 C23 . 1.389(4) ?
    C23 C24 . 1.406(4) ?
    C23 O26 . 1.346(3) ?
    C24 H24 . 0.9500 ?
    C24 C25 . 1.385(4) ?
    C25 N20 . 1.346(4) ?
    C27 H27A . 0.9800 ?
    C27 H27B . 0.9800 ?
    C27 H27C . 0.9800 ?
    C27 O26 . 1.436(4) ?
    C31 H31 . 0.9500 ?
    C31 C32 . 1.364(4) ?
    C31 N30 . 1.350(4) ?
    C32 H32 . 0.9500 ?
    C32 C33 . 1.391(4) ?
    C33 C34 . 1.402(4) ?
    C33 O36 . 1.343(3) ?
    C34 H34 . 0.9500 ?
    C34 C35 . 1.389(4) ?
    C35 C45 . 1.497(4) ?
    C35 N30 . 1.345(4) ?
    C37 H37A . 0.9800 ?
    C37 H37B . 0.9800 ?
    C37 H37C . 0.9800 ?
    C37 O36 . 1.442(4) ?
    C41 H41 . 0.9500 ?
    C41 C42 . 1.368(4) ?
    C41 N40 . 1.351(4) ?
    C42 H42 . 0.9500 ?
    C42 C43 . 1.396(4) ?
    C43 C44 . 1.401(4) ?
    C43 O46 . 1.340(4) ?
    C44 H44 . 0.9500 ?
    C44 C45 . 1.385(4) ?
    C45 N40 . 1.344(4) ?
    C47 H47A . 0.9800 ?
    C47 H47B . 0.9800 ?
    C47 H47C . 0.9800 ?
    C47 O46 . 1.430(4) ?
    C51 C54 . 1.532(4) ?
    C51 O50 . 1.284(4) ?
    C51 O52 . 1.242(4) ?
    C54 H54 . 1.0000 ?
    C54 C56 . 1.554(4) ?
    C54 O53 . 1.395(3) ?
    C56 H56 . 1.0000 ?
    C56 C58 . 1.530(4) ?
    C56 O55 . 1.408(3) ?
    C58 O57 . 1.266(4) ?
    C58 O59 . 1.242(4) ?
    N10 Cu1 . 1.980(2) ?
    N20 Cu1 . 2.000(2) ?
    N30 Cu2 . 1.965(2) ?
    N40 Cu2 . 1.981(2) ?
    O50 Cu2 . 1.973(2) ?
    O53 Cu2 . 1.887(2) ?
    O55 Cu1 . 1.9128(19) ?
    O57 Cu1 . 1.944(2) ?
    O60 H60A . 0.81(5) ?
    O60 H60B . 0.77(5) ?
    O60 Cu1 . 2.322(3) ?
    O61 H61A . 0.81(2) ?
    O61 H61B . 0.82(2) ?
    O62 H62A . 0.79(2) ?
    O62 H62B . 0.80(2) ?
    O63 H63A . 0.83(2) ?
    O63 H63B . 0.85(2) ?
    O64 H64A . 0.81(2) ?
    O64 H64B . 0.85(2) ?
    O65 H65A . 0.82(2) ?
    O65 H65B . 0.81(2) ?
    O66 H66A . 0.79(2) ?
    O66 H66B . 0.80(2) ?
    O67 H67A . 0.84(2) ?
    O67 H67B . 0.83(2) ?
    O68 H68A . 0.90(3) ?
    O68 H68B . 0.91(2) ?
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    O55 Cu2 2.549(2) . ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C12 C11 H11 . . 119.1 ?
    N10 C11 H11 . . 119.1 ?
    N10 C11 C12 . . 121.8(3) ?
    C11 C12 H12 . . 120.2 ?
    C11 C12 C13 . . 119.6(2) ?
    C13 C12 H12 . . 120.2 ?
    C12 C13 C14 . . 118.8(3) ?
    O16 C13 C12 . . 116.4(2) ?
    O16 C13 C14 . . 124.7(3) ?
    C13 C14 H14 . . 121.0 ?
    C15 C14 C13 . . 118.0(3) ?
    C15 C14 H14 . . 121.0 ?
    C14 C15 C25 . . 123.6(3) ?
    N10 C15 C14 . . 122.7(2) ?
    N10 C15 C25 . . 113.6(2) ?
    H17A C17 H17B . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    O16 C17 H17A . . 109.5 ?
    O16 C17 H17B . . 109.5 ?
    O16 C17 H17C . . 109.5 ?
    C22 C21 H21 . . 118.6 ?
    N20 C21 H21 . . 118.6 ?
    N20 C21 C22 . . 122.8(3) ?
    C21 C22 H22 . . 120.4 ?
    C21 C22 C23 . . 119.2(2) ?
    C23 C22 H22 . . 120.4 ?
    C22 C23 C24 . . 119.1(3) ?
    O26 C23 C22 . . 116.7(2) ?
    O26 C23 C24 . . 124.2(3) ?
    C23 C24 H24 . . 121.2 ?
    C25 C24 C23 . . 117.5(3) ?
    C25 C24 H24 . . 121.2 ?
    C24 C25 C15 . . 122.8(2) ?
    N20 C25 C15 . . 113.9(2) ?
    N20 C25 C24 . . 123.4(2) ?
    H27A C27 H27B . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
    O26 C27 H27A . . 109.5 ?
    O26 C27 H27B . . 109.5 ?
    O26 C27 H27C . . 109.5 ?
    C32 C31 H31 . . 118.7 ?
    N30 C31 H31 . . 118.7 ?
    N30 C31 C32 . . 122.7(3) ?
    C31 C32 H32 . . 120.4 ?
    C31 C32 C33 . . 119.1(3) ?
    C33 C32 H32 . . 120.4 ?
    C32 C33 C34 . . 119.1(3) ?
    O36 C33 C32 . . 115.9(3) ?
    O36 C33 C34 . . 125.1(3) ?
    C33 C34 H34 . . 120.9 ?
    C35 C34 C33 . . 118.2(3) ?
    C35 C34 H34 . . 120.9 ?
    C34 C35 C45 . . 124.2(2) ?
    N30 C35 C34 . . 122.3(2) ?
    N30 C35 C45 . . 113.5(2) ?
    H37A C37 H37B . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    O36 C37 H37A . . 109.5 ?
    O36 C37 H37B . . 109.5 ?
    O36 C37 H37C . . 109.5 ?
    C42 C41 H41 . . 119.1 ?
    N40 C41 H41 . . 119.1 ?
    N40 C41 C42 . . 121.9(3) ?
    C41 C42 H42 . . 120.2 ?
    C41 C42 C43 . . 119.5(3) ?
    C43 C42 H42 . . 120.2 ?
    C42 C43 C44 . . 119.0(3) ?
    O46 C43 C42 . . 116.1(3) ?
    O46 C43 C44 . . 124.9(3) ?
    C43 C44 H44 . . 121.1 ?
    C45 C44 C43 . . 117.9(3) ?
    C45 C44 H44 . . 121.1 ?
    C44 C45 C35 . . 123.9(2) ?
    N40 C45 C35 . . 113.3(2) ?
    N40 C45 C44 . . 122.8(2) ?
    H47A C47 H47B . . 109.5 ?
    H47A C47 H47C . . 109.5 ?
    H47B C47 H47C . . 109.5 ?
    O46 C47 H47A . . 109.5 ?
    O46 C47 H47B . . 109.5 ?
    O46 C47 H47C . . 109.5 ?
    O50 C51 C54 . . 114.7(2) ?
    O52 C51 C54 . . 121.8(2) ?
    O52 C51 O50 . . 123.4(2) ?
    C51 C54 H54 . . 110.2 ?
    C51 C54 C56 . . 106.0(2) ?
    C56 C54 H54 . . 110.2 ?
    O53 C54 C51 . . 111.0(2) ?
    O53 C54 H54 . . 110.2 ?
    O53 C54 C56 . . 109.1(2) ?
    C54 C56 H56 . . 109.1 ?
    C58 C56 C54 . . 107.9(2) ?
    C58 C56 H56 . . 109.1 ?
    O55 C56 C54 . . 109.6(2) ?
    O55 C56 H56 . . 109.1 ?
    O55 C56 C58 . . 111.8(2) ?
    O57 C58 C56 . . 116.4(2) ?
    O59 C58 C56 . . 120.4(2) ?
    O59 C58 O57 . . 123.3(3) ?
    C11 N10 Cu1 . . 124.3(2) ?
    C15 N10 C11 . . 119.1(2) ?
    C15 N10 Cu1 . . 116.08(17) ?
    C21 N20 Cu1 . . 126.8(2) ?
    C25 N20 C21 . . 117.9(2) ?
    C25 N20 Cu1 . . 115.24(17) ?
    C31 N30 Cu2 . . 125.1(2) ?
    C35 N30 C31 . . 118.7(2) ?
    C35 N30 Cu2 . . 116.03(19) ?
    C41 N40 Cu2 . . 125.2(2) ?
    C45 N40 C41 . . 119.0(3) ?
    C45 N40 Cu2 . . 115.79(18) ?
    C13 O16 C17 . . 118.4(2) ?
    C23 O26 C27 . . 118.6(2) ?
    C33 O36 C37 . . 118.7(2) ?
    C43 O46 C47 . . 118.6(2) ?
    C51 O50 Cu2 . . 108.45(17) ?
    C54 O53 Cu2 . . 103.46(15) ?
    C56 O55 Cu1 . . 112.06(15) ?
    C56 O55 Cu2 . . 99.39(15) ?
    Cu1 O55 Cu2 . . 103.52(9) ?
    C58 O57 Cu1 . . 114.07(18) ?
    H60A O60 H60B . . 119(5) ?
    Cu1 O60 H60A . . 107(3) ?
    Cu1 O60 H60B . . 122(4) ?
    N10 Cu1 N20 . . 80.60(9) ?
    N10 Cu1 O60 . . 97.51(9) ?
    N20 Cu1 O60 . . 89.96(10) ?
    O55 Cu1 N10 . . 161.28(9) ?
    O55 Cu1 N20 . . 99.09(9) ?
    O55 Cu1 O57 . . 85.65(8) ?
    O55 Cu1 O60 . . 101.20(9) ?
    O57 Cu1 N10 . . 91.69(9) ?
    O57 Cu1 N20 . . 168.93(10) ?
    O57 Cu1 O60 . . 98.98(11) ?
    N30 Cu2 N40 . . 81.11(10) ?
    N30 Cu2 O50 . . 94.51(10) ?
    N30 Cu2 O55 . . 111.51(8) ?
    N40 Cu2 O55 . . 105.38(8) ?
    O50 Cu2 N40 . . 172.01(10) ?
    O50 Cu2 O55 . . 82.41(8) ?
    O53 Cu2 N30 . . 173.36(10) ?
    O53 Cu2 N40 . . 97.64(9) ?
    O53 Cu2 O50 . . 85.94(9) ?
    O53 Cu2 O55 . . 75.12(7) ?
    H61A O61 H61B . . 100(4) ?
    H62A O62 H62B . . 105(4) ?
    H63A O63 H63B . . 107(4) ?
    H64A O64 H64B . . 97(4) ?
    H65A O65 H65B . . 110(4) ?
    H66A O66 H66B . . 113(4) ?
    H67A O67 H67B . . 106(4) ?
    H68A O68 H68B . . 104(4) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C11 C12 C13 C14 . . . . -0.6(4) ?
    C11 C12 C13 O16 . . . . 179.8(3) ?
    C12 C11 N10 C15 . . . . 0.4(4) ?
    C12 C11 N10 Cu1 . . . . -170.9(2) ?
    C12 C13 C14 C15 . . . . 0.3(4) ?
    C12 C13 O16 C17 . . . . -179.2(3) ?
    C13 C14 C15 C25 . . . . 179.2(2) ?
    C13 C14 C15 N10 . . . . 0.3(4) ?
    C14 C13 O16 C17 . . . . 1.2(4) ?
    C14 C15 C25 C24 . . . . 4.0(4) ?
    C14 C15 C25 N20 . . . . -175.8(2) ?
    C14 C15 N10 C11 . . . . -0.7(4) ?
    C14 C15 N10 Cu1 . . . . 171.4(2) ?
    C15 C25 N20 C21 . . . . -177.6(2) ?
    C15 C25 N20 Cu1 . . . . 2.6(3) ?
    C21 C22 C23 C24 . . . . 2.7(4) ?
    C21 C22 C23 O26 . . . . -176.8(3) ?
    C22 C21 N20 C25 . . . . -2.7(4) ?
    C22 C21 N20 Cu1 . . . . 177.2(2) ?
    C22 C23 C24 C25 . . . . -2.7(4) ?
    C22 C23 O26 C27 . . . . -179.3(3) ?
    C23 C24 C25 C15 . . . . -179.8(2) ?
    C23 C24 C25 N20 . . . . 0.0(4) ?
    C24 C23 O26 C27 . . . . 1.2(4) ?
    C24 C25 N20 C21 . . . . 2.6(4) ?
    C24 C25 N20 Cu1 . . . . -177.2(2) ?
    C25 C15 N10 C11 . . . . -179.7(2) ?
    C25 C15 N10 Cu1 . . . . -7.7(3) ?
    C31 C32 C33 C34 . . . . 0.2(4) ?
    C31 C32 C33 O36 . . . . -179.4(3) ?
    C32 C31 N30 C35 . . . . -0.8(4) ?
    C32 C31 N30 Cu2 . . . . 174.7(2) ?
    C32 C33 C34 C35 . . . . -0.5(4) ?
    C32 C33 O36 C37 . . . . -171.8(3) ?
    C33 C34 C35 C45 . . . . 179.2(2) ?
    C33 C34 C35 N30 . . . . 0.2(4) ?
    C34 C33 O36 C37 . . . . 8.5(4) ?
    C34 C35 C45 C44 . . . . -2.7(4) ?
    C34 C35 C45 N40 . . . . 178.2(2) ?
    C34 C35 N30 C31 . . . . 0.5(4) ?
    C34 C35 N30 Cu2 . . . . -175.4(2) ?
    C35 C45 N40 C41 . . . . 178.8(2) ?
    C35 C45 N40 Cu2 . . . . -1.2(3) ?
    C41 C42 C43 C44 . . . . -1.2(4) ?
    C41 C42 C43 O46 . . . . 179.0(3) ?
    C42 C41 N40 C45 . . . . -0.2(4) ?
    C42 C41 N40 Cu2 . . . . 179.8(2) ?
    C42 C43 C44 C45 . . . . 0.7(4) ?
    C42 C43 O46 C47 . . . . -174.1(3) ?
    C43 C44 C45 C35 . . . . -179.0(2) ?
    C43 C44 C45 N40 . . . . 0.1(4) ?
    C44 C43 O46 C47 . . . . 6.1(4) ?
    C44 C45 N40 C41 . . . . -0.3(4) ?
    C44 C45 N40 Cu2 . . . . 179.6(2) ?
    C45 C35 N30 C31 . . . . -178.6(2) ?
    C45 C35 N30 Cu2 . . . . 5.5(3) ?
    C51 C54 C56 C58 . . . . -171.8(2) ?
    C51 C54 C56 O55 . . . . 66.2(3) ?
    C51 C54 O53 Cu2 . . . . -41.2(2) ?
    C54 C51 O50 Cu2 . . . . 3.5(3) ?
    C54 C56 C58 O57 . . . . -118.9(3) ?
    C54 C56 C58 O59 . . . . 61.3(3) ?
    C54 C56 O55 Cu1 . . . . 119.29(19) ?
    C54 C56 O55 Cu2 . . . . 10.5(2) ?
    C54 O53 Cu2 N40 . . . . -152.04(16) ?
    C54 O53 Cu2 O50 . . . . 35.14(17) ?
    C54 O53 Cu2 O55 . . . . -48.08(15) ?
    C56 C54 O53 Cu2 . . . . 75.3(2) ?
    C56 C58 O57 Cu1 . . . . -2.3(4) ?
    C58 C56 O55 Cu1 . . . . -0.3(3) ?
    C58 C56 O55 Cu2 . . . . -109.1(2) ?
    N10 C11 C12 C13 . . . . 0.2(4) ?
    N10 C15 C25 C24 . . . . -177.0(2) ?
    N10 C15 C25 N20 . . . . 3.3(3) ?
    N20 C21 C22 C23 . . . . 0.0(4) ?
    N30 C31 C32 C33 . . . . 0.5(4) ?
    N30 C35 C45 C44 . . . . 176.4(2) ?
    N30 C35 C45 N40 . . . . -2.7(3) ?
    N40 C41 C42 C43 . . . . 1.0(4) ?
    O16 C13 C14 C15 . . . . 180.0(3) ?
    O26 C23 C24 C25 . . . . 176.8(3) ?
    O36 C33 C34 C35 . . . . 179.1(3) ?
    O46 C43 C44 C45 . . . . -179.5(3) ?
    O50 C51 C54 C56 . . . . -92.3(3) ?
    O50 C51 C54 O53 . . . . 26.1(3) ?
    O52 C51 C54 C56 . . . . 84.0(3) ?
    O52 C51 C54 O53 . . . . -157.6(3) ?
    O52 C51 O50 Cu2 . . . . -172.7(2) ?
    O53 C54 C56 C58 . . . . 68.6(3) ?
    O53 C54 C56 O55 . . . . -53.4(3) ?
    O55 C56 C58 O57 . . . . 1.8(4) ?
    O55 C56 C58 O59 . . . . -178.1(3) ?
    O59 C58 O57 Cu1 . . . . 177.5(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O60 H60A O50 1_655 0.81(5) 2.00(5) 2.802(3) 167(5) yes
    O60 H60B O67 . 0.77(5) 1.98(5) 2.750(4) 177(5) yes
    O61 H61A O65 . 0.81(2) 2.02(3) 2.813(4) 166(4) yes
    O61 H61B O52 1_554 0.82(2) 1.92(2) 2.739(3) 177(4) yes
    O62 H62A O64 . 0.79(2) 2.01(3) 2.774(3) 164(5) yes
    O62 H62B O55 . 0.80(2) 1.85(2) 2.650(3) 174(5) yes
    O63 H63A O59 1_554 0.83(2) 1.97(2) 2.806(3) 178(4) yes
    O63 H63B O61 . 0.85(2) 2.13(2) 2.970(3) 176(4) yes
    O64 H64A O52 . 0.81(2) 2.05(3) 2.762(3) 146(4) yes
    O64 H64B O65 . 0.85(2) 1.95(3) 2.719(3) 149(4) yes
    O65 H65A O59 1_454 0.82(2) 2.08(3) 2.871(3) 162(4) yes
    O65 H65B O66 . 0.81(2) 2.01(2) 2.801(4) 167(4) yes
    O66 H66A O53 1_554 0.79(2) 1.91(3) 2.680(3) 169(5) yes
    O66 H66B O62 . 0.80(2) 2.02(3) 2.808(4) 167(5) yes
    O67 H67A O62 . 0.84(2) 1.91(3) 2.737(4) 168(5) yes
    O67 H67B O59 1_554 0.83(2) 2.15(2) 2.973(3) 178(5) yes
    O68 H68A O57 1_454 0.90(3) 2.52(4) 3.236(4) 138(5) yes
    O68 H68B O60 1_455 0.91(2) 2.23(3) 3.129(5) 169(5) yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
