#------------------------------------------------------------------------------
#$Date: 2021-06-30 12:29:19 +0300 (Wed, 30 Jun 2021) $
#$Revision: 266808 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/37/1563794.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1563794
loop_
_publ_author_name
'Alvarez, Natalia'
'Mendes, Luis F.S.'
'Kramer, M. Gabriela'
'Torre, María H.'
'Costa-Filho, Antonio J.'
'Ellena, Javier'
'Facchin, Gianella'
_publ_section_title
;
 Development of copper(II)-diimine-iminodiacetate mixed ligand complexes
 as potential antitumor agents
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              61
_journal_page_last               70
_journal_paper_doi               10.1016/j.ica.2018.07.052
_journal_volume                  483
_journal_year                    2018
_chemical_formula_sum            'C57 H58 Cu2 N6 O15.5'
_chemical_formula_weight         1202.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 118.5080(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5802(4)
_cell_length_b                   25.5149(7)
_cell_length_c                   15.4020(4)
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.1002
_cell_measurement_theta_min      2.182
_cell_volume                     5380.3(3)
_computing_cell_refinement       'SAINT V7.68A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           Mok\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            83318
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.187
_diffrn_reflns_theta_min         1.487
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         11935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0462P)²+5.8455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0937
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10436
_reflns_number_total             11935
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            mmc2.cif
_cod_data_source_block           cuibato
_cod_original_cell_volume        5380.3(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C57 H58 Cu2 N6 O15.50'
_cod_database_code               1563794
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.671
_shelx_estimated_absorpt_t_max   0.866
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O4 O 0.10493(11) 0.08962(7) 0.10931(12) 0.0307(4) Uani 1 1 d . . . A 1
H4A H 0.144790 0.075672 0.168986 0.046 Uiso 1 1 d R U . A 1
H4B H 0.116890 0.069672 0.070387 0.046 Uiso 1 1 d R U . A 1
O1 O 0.1898(2) 0.05194(12) -0.1914(2) 0.0280(7) Uani 0.5 1 d . . P B 1
H1 H 0.134797 0.042677 -0.203376 0.042 Uiso 0.5 1 calc R U P B 1
O5 O 0.94215(12) 0.05701(8) 0.11883(12) 0.0367(4) Uani 1 1 d . . . C 1
H5A H 0.990786 0.069979 0.108823 0.055 Uiso 1 1 d R U . C 1
H5B H 0.891586 0.080879 0.092723 0.055 Uiso 1 1 d R U . C 1
O6 O 0.02732(10) 0.51908(6) 0.19892(11) 0.0259(3) Uani 1 1 d . . . D 1
H6A H 0.030948 0.532942 0.250881 0.039 Uiso 1 1 d R U . D 1
H6B H 0.056948 0.541445 0.181181 0.039 Uiso 1 1 d R U . D 1
O7 O 0.77995(11) 0.11984(6) 0.03948(11) 0.0267(3) Uani 1 1 d . . . E 1
H7A H 0.756864 0.119750 0.082208 0.040 Uiso 1 1 d R U . E 1
H7B H 0.742363 0.097550 -0.006992 0.040 Uiso 1 1 d R U . E 1
O8 O 0.70928(10) 0.11365(6) 0.17364(10) 0.0227(3) Uani 1 1 d . . . F 1
H8A H 0.754227 0.106417 0.230024 0.034 Uiso 1 1 d R U . F 1
H8B H 0.678933 0.084817 0.163124 0.034 Uiso 1 1 d R U . F 1
O9 O 0.62793(12) 0.01200(6) 0.11271(11) 0.0320(4) Uani 1 1 d . . . G 1
H9A H 0.570589 0.006510 0.109718 0.048 Uiso 1 1 d R U . G 1
H9B H 0.611593 0.011610 0.048818 0.048 Uiso 1 1 d R U . G 1
C2 C 0.1540(3) 0.01576(15) 0.0014(3) 0.0217(8) Uani 0.5 1 d . . P H 1
H2A H 0.150380 0.019366 0.061583 0.032 Uiso 0.5 1 calc R U P H 1
H2B H 0.220949 0.017815 0.015540 0.032 Uiso 0.5 1 calc R U P H 1
H2C H 0.127286 -0.017519 -0.028337 0.032 Uiso 0.5 1 calc R U P H 1
O2 O 0.1061(2) 0.05181(13) -0.0570(2) 0.0303(7) Uani 0.5 1 d . . P H 1
H2 H 0.130385 0.058864 -0.092516 0.045 Uiso 0.5 1 calc R U P H 1
C1 C 0.2064(3) 0.03668(17) -0.2565(3) 0.0277(9) Uani 0.5 1 d . . P B 1
H1A H 0.212236 0.066225 -0.291954 0.042 Uiso 0.5 1 calc R U P B 1
H1B H 0.153832 0.014640 -0.301120 0.042 Uiso 0.5 1 calc R U P B 1
H1C H 0.266275 0.017101 -0.228049 0.042 Uiso 0.5 1 calc R U P B 1
Cu1 Cu 0.74612(2) 0.06980(2) 0.54427(2) 0.01270(6) Uani 1 1 d . . . I 1
O101 O 0.64168(9) 0.01826(5) 0.49851(10) 0.0170(3) Uani 1 1 d . . . I 1
O102 O 0.61316(10) -0.06683(5) 0.46554(10) 0.0211(3) Uani 1 1 d . . . I 1
O103 O 0.86331(11) 0.08315(6) 0.35477(10) 0.0233(3) Uani 1 1 d . . . I 1
O104 O 0.75701(10) 0.09265(5) 0.41233(10) 0.0198(3) Uani 1 1 d . . . I 1
N101 N 0.65626(11) 0.12794(6) 0.52982(11) 0.0143(3) Uani 1 1 d . . . I 1
N102 N 0.84653(11) 0.12203(6) 0.63555(11) 0.0143(3) Uani 1 1 d . . . I 1
N103 N 0.83124(11) 0.01142(6) 0.54115(11) 0.0147(3) Uani 1 1 d . . . I 1
H103 H 0.873721 0.001130 0.598204 0.018 Uiso 1 1 d R U . I 1
C101 C 0.56017(13) 0.12915(7) 0.47048(14) 0.0169(4) Uani 1 1 d . . . I 1
H101 H 0.527603 0.097968 0.442905 0.020 Uiso 1 1 calc R U . I 1
C102 C 0.50684(14) 0.17549(7) 0.44834(14) 0.0176(4) Uani 1 1 d . . . I 1
H102 H 0.440091 0.174873 0.404971 0.021 Uiso 1 1 calc R U . I 1
C103 C 0.55213(13) 0.22271(7) 0.49025(13) 0.0148(3) Uani 1 1 d . . . I 1
C104 C 0.65366(13) 0.22114(7) 0.56081(13) 0.0143(3) Uani 1 1 d . . . I 1
C105 C 0.70947(14) 0.26440(7) 0.62075(14) 0.0160(4) Uani 1 1 d . . . I 1
H105 H 0.677877 0.295651 0.618821 0.019 Uiso 1 1 calc R U . I 1
C106 C 0.80752(14) 0.26064(7) 0.68024(14) 0.0165(4) Uani 1 1 d . . . I 1
H106 H 0.840976 0.289209 0.719220 0.020 Uiso 1 1 calc R U . I 1
C107 C 0.86125(13) 0.21398(7) 0.68495(13) 0.0149(3) Uani 1 1 d . . . I 1
C108 C 0.96484(14) 0.20815(7) 0.74050(13) 0.0161(4) Uani 1 1 d . . . I 1
C109 C 1.00289(14) 0.15877(8) 0.74285(14) 0.0178(4) Uani 1 1 d . . . I 1
H109 H 1.069932 0.153506 0.779503 0.021 Uiso 1 1 calc R U . I 1
C110 C 0.94272(14) 0.11682(8) 0.69140(14) 0.0172(4) Uani 1 1 d . . . I 1
H110 H 0.970757 0.084031 0.696247 0.021 Uiso 1 1 calc R U . I 1
C111 C 0.80689(13) 0.16973(7) 0.63348(13) 0.0136(3) Uani 1 1 d . . . I 1
C112 C 0.70225(13) 0.17324(7) 0.57366(13) 0.0131(3) Uani 1 1 d . . . I 1
C113 C 0.49665(14) 0.27225(7) 0.45827(13) 0.0158(4) Uani 1 1 d . . . I 1
C114 C 0.53894(15) 0.31754(8) 0.44376(14) 0.0194(4) Uani 1 1 d . . . I 1
H114 H 0.603709 0.317048 0.456862 0.023 Uiso 1 1 calc R U . I 1
C115 C 0.48464(16) 0.36300(8) 0.41001(16) 0.0255(4) Uani 1 1 d . . . I 1
H115 H 0.513254 0.392952 0.400654 0.031 Uiso 1 1 calc R U . I 1
C116 C 0.38784(17) 0.36435(8) 0.38994(17) 0.0285(5) Uani 1 1 d . . . I 1
H116 H 0.351875 0.395121 0.367491 0.034 Uiso 1 1 calc R U . I 1
C117 C 0.34502(15) 0.31976(8) 0.40346(16) 0.0241(4) Uani 1 1 d . . . I 1
H117 H 0.280180 0.320561 0.390104 0.029 Uiso 1 1 calc R U . I 1
C118 C 0.39861(14) 0.27395(7) 0.43684(15) 0.0194(4) Uani 1 1 d . . . I 1
H118 H 0.369220 0.244020 0.445112 0.023 Uiso 1 1 calc R U . I 1
C119 C 1.03315(14) 0.25154(8) 0.79461(14) 0.0181(4) Uani 1 1 d . . . I 1
C120 C 1.11586(14) 0.24041(8) 0.88468(15) 0.0214(4) Uani 1 1 d . . . I 1
H120 H 1.123459 0.207228 0.912389 0.026 Uiso 1 1 calc R U . I 1
C121 C 1.18664(15) 0.27838(9) 0.93306(16) 0.0265(5) Uani 1 1 d . . . I 1
H121 H 1.240938 0.270589 0.993182 0.032 Uiso 1 1 calc R U . I 1
C122 C 1.17681(16) 0.32785(9) 0.89225(18) 0.0302(5) Uani 1 1 d . . . I 1
H122 H 1.225530 0.352809 0.923565 0.036 Uiso 1 1 calc R U . I 1
C123 C 1.09406(17) 0.33995(9) 0.80459(18) 0.0283(5) Uani 1 1 d . . . I 1
H123 H 1.086345 0.373480 0.778204 0.034 Uiso 1 1 calc R U . I 1
C124 C 1.02227(15) 0.30217(8) 0.75568(15) 0.0217(4) Uani 1 1 d . . . I 1
H124 H 0.966890 0.310641 0.696910 0.026 Uiso 1 1 calc R U . I 1
C125 C 0.66604(13) -0.02788(7) 0.48458(13) 0.0161(4) Uani 1 1 d . . . I 1
C126 C 0.76476(15) -0.03255(7) 0.48746(15) 0.0199(4) Uani 1 1 d . . . I 1
H12A H 0.795242 -0.065287 0.519216 0.024 Uiso 1 1 calc R U . I 1
H12B H 0.754885 -0.033505 0.420344 0.024 Uiso 1 1 calc R U . I 1
C127 C 0.88615(14) 0.03037(7) 0.49107(14) 0.0176(4) Uani 1 1 d . . . I 1
H12C H 0.900423 0.000930 0.460197 0.021 Uiso 1 1 calc R U . I 1
H12D H 0.947838 0.045100 0.539945 0.021 Uiso 1 1 calc R U . I 1
C128 C 0.82967(14) 0.07202(7) 0.41223(14) 0.0173(4) Uani 1 1 d . . . I 1
Cu2 Cu 0.68718(2) 0.08576(2) 0.76009(2) 0.01443(6) Uani 1 1 d . . . J 1
O201 O 0.77385(10) 0.03940(5) 0.74016(10) 0.0209(3) Uani 1 1 d . . . J 1
O202 O 0.78902(11) -0.04331(6) 0.70310(11) 0.0264(3) Uani 1 1 d . . . J 1
O203 O 0.56019(11) 0.01126(5) 0.91065(10) 0.0216(3) Uani 1 1 d . . . J 1
O204 O 0.67563(10) 0.04912(5) 0.88476(10) 0.0194(3) Uani 1 1 d . . . J 1
N201 N 0.60361(12) 0.14957(6) 0.73694(11) 0.0154(3) Uani 1 1 d . . . J 1
N202 N 0.79264(11) 0.13724(6) 0.83913(11) 0.0151(3) Uani 1 1 d . . . J 1
N203 N 0.58282(12) 0.03012(6) 0.68953(11) 0.0171(3) Uani 1 1 d . . . J 1
H203 H 0.536898 0.038951 0.628712 0.020 Uiso 1 1 d R U . J 1
C201 C 0.50779(14) 0.15449(7) 0.68113(14) 0.0191(4) Uani 1 1 d . . . J 1
H201 H 0.471346 0.125110 0.648429 0.023 Uiso 1 1 calc R U . J 1
C202 C 0.45983(14) 0.20207(7) 0.66975(14) 0.0191(4) Uani 1 1 d . . . J 1
H202 H 0.392463 0.203682 0.629937 0.023 Uiso 1 1 calc R U . J 1
C203 C 0.51053(13) 0.24704(7) 0.71660(13) 0.0156(4) Uani 1 1 d . . . J 1
C204 C 0.61302(13) 0.24208(7) 0.78092(13) 0.0140(3) Uani 1 1 d . . . J 1
C205 C 0.67520(13) 0.28334(7) 0.84201(13) 0.0149(3) Uani 1 1 d . . . J 1
H205 H 0.648032 0.315757 0.842228 0.018 Uiso 1 1 calc R U . J 1
C206 C 0.77287(13) 0.27609(7) 0.89952(13) 0.0146(3) Uani 1 1 d . . . J 1
H206 H 0.810499 0.303286 0.939975 0.018 Uiso 1 1 calc R U . J 1
C207 C 0.81947(13) 0.22758(7) 0.89947(13) 0.0136(3) Uani 1 1 d . . . J 1
C208 C 0.92254(13) 0.21822(7) 0.95194(13) 0.0154(4) Uani 1 1 d . . . J 1
C209 C 0.95368(14) 0.16781(8) 0.94697(14) 0.0181(4) Uani 1 1 d . . . J 1
H209 H 1.019930 0.159972 0.981910 0.022 Uiso 1 1 calc R U . J 1
C210 C 0.88802(14) 0.12866(7) 0.89085(14) 0.0180(4) Uani 1 1 d . . . J 1
H210 H 0.911932 0.095416 0.889667 0.022 Uiso 1 1 calc R U . J 1
C211 C 0.75904(13) 0.18590(7) 0.84407(13) 0.0134(3) Uani 1 1 d . . . J 1
C212 C 0.65575(13) 0.19282(7) 0.78644(13) 0.0137(3) Uani 1 1 d . . . J 1
C213 C 0.99570(13) 0.25916(8) 1.00915(13) 0.0167(4) Uani 1 1 d . . . J 1
C214 C 1.07826(14) 0.24549(9) 1.09732(14) 0.0216(4) Uani 1 1 d . . . J 1
H214 H 1.086557 0.210975 1.119306 0.026 Uiso 1 1 calc R U . J 1
C215 C 1.14786(15) 0.28268(10) 1.15237(15) 0.0277(5) Uani 1 1 d . . . J 1
H215 H 1.201481 0.273113 1.211768 0.033 Uiso 1 1 calc R U . J 1
C216 C 1.13832(15) 0.33390(10) 1.11980(16) 0.0291(5) Uani 1 1 d . . . J 1
H216 H 1.184960 0.358810 1.157290 0.035 Uiso 1 1 calc R U . J 1
C217 C 1.05835(15) 0.34790(8) 1.03044(16) 0.0241(4) Uani 1 1 d . . . J 1
H217 H 1.052443 0.382097 1.007371 0.029 Uiso 1 1 calc R U . J 1
C218 C 0.98736(14) 0.31110(8) 0.97556(14) 0.0183(4) Uani 1 1 d . . . J 1
H218 H 0.933926 0.320866 0.916179 0.022 Uiso 1 1 calc R U . J 1
C219 C 0.45745(14) 0.29741(7) 0.69348(14) 0.0179(4) Uani 1 1 d . . . J 1
C224 C 0.49485(15) 0.34150(8) 0.66952(14) 0.0203(4) Uani 1 1 d . . . J 1
H224 H 0.557906 0.340965 0.677537 0.024 Uiso 1 1 calc R U . J 1
C223 C 0.43769(16) 0.38622(8) 0.63365(16) 0.0266(5) Uani 1 1 d . . . J 1
H223 H 0.462109 0.415378 0.616446 0.032 Uiso 1 1 calc R U . J 1
C222 C 0.34449(17) 0.38750(9) 0.62346(17) 0.0316(5) Uani 1 1 d . . . J 1
H222 H 0.306275 0.417386 0.598683 0.038 Uiso 1 1 calc R U . J 1
C221 C 0.30795(16) 0.34459(9) 0.64989(18) 0.0326(5) Uani 1 1 d . . . J 1
H221 H 0.246020 0.345936 0.644704 0.039 Uiso 1 1 calc R U . J 1
C220 C 0.36397(14) 0.29954(8) 0.68419(16) 0.0248(4) Uani 1 1 d . . . J 1
H220 H 0.339014 0.270502 0.701128 0.030 Uiso 1 1 calc R U . J 1
C225 C 0.74077(15) -0.00720(7) 0.71117(14) 0.0202(4) Uani 1 1 d . . . J 1
C226 C 0.63557(16) -0.01774(7) 0.68640(15) 0.0226(4) Uani 1 1 d . . . J 1
H22A H 0.601278 -0.032971 0.620852 0.027 Uiso 1 1 calc R U . J 1
H22B H 0.634819 -0.043181 0.732839 0.027 Uiso 1 1 calc R U . J 1
C227 C 0.52859(14) 0.02120(7) 0.74526(14) 0.0172(4) Uani 1 1 d . . . J 1
H22C H 0.500852 -0.013786 0.731227 0.021 Uiso 1 1 calc R U . J 1
H22D H 0.475168 0.046063 0.723278 0.021 Uiso 1 1 calc R U . J 1
C228 C 0.59403(14) 0.02712(7) 0.85658(14) 0.0157(4) Uani 1 1 d . . . J 1
O3 O 0.1748(3) 0.09450(18) -0.1179(4) 0.0628(12) Uani 0.5 1 d . . P K 2
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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
H4A O4 H4B 101.6 . .
C1 O1 H1 109.5 . .
H5A O5 H5B 107.1 . .
H6A O6 H6B 102.6 . .
H7A O7 H7B 104.6 . .
H8A O8 H8B 97.0 . .
H9A O9 H9B 101.1 . .
O2 C2 H2A 109.5 . .
O2 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
O2 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C2 O2 H2 109.5 . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O101 Cu1 N101 92.38(6) . .
O101 Cu1 N103 86.43(6) . .
N101 Cu1 N103 173.04(6) . .
O101 Cu1 N102 158.83(6) . .
N101 Cu1 N102 81.69(6) . .
N103 Cu1 N102 101.79(6) . .
O101 Cu1 O104 105.36(5) . .
N101 Cu1 O104 93.44(6) . .
N103 Cu1 O104 80.30(6) . .
N102 Cu1 O104 95.30(6) . .
C125 O101 Cu1 114.65(12) . .
C128 O104 Cu1 111.06(12) . .
C101 N101 C112 118.39(16) . .
C101 N101 Cu1 126.76(13) . .
C112 N101 Cu1 113.91(12) . .
C110 N102 C111 117.62(16) . .
C110 N102 Cu1 129.88(13) . .
C111 N102 Cu1 112.42(12) . .
C127 N103 C126 112.35(15) . .
C127 N103 Cu1 108.81(11) . .
C126 N103 Cu1 106.31(11) . .
C127 N103 H103 106.3 . .
C126 N103 H103 109.6 . .
Cu1 N103 H103 113.6 . .
N101 C101 C102 122.18(17) . .
N101 C101 H101 118.9 . .
C102 C101 H101 118.9 . .
C103 C102 C101 120.78(17) . .
C103 C102 H102 119.6 . .
C101 C102 H102 119.6 . .
C102 C103 C104 117.45(16) . .
C102 C103 C113 120.03(17) . .
C104 C103 C113 122.46(16) . .
C112 C104 C103 117.33(16) . .
C112 C104 C105 117.34(16) . .
C103 C104 C105 125.32(17) . .
C106 C105 C104 121.35(17) . .
C106 C105 H105 119.3 . .
C104 C105 H105 119.3 . .
C105 C106 C107 122.20(17) . .
C105 C106 H106 118.9 . .
C107 C106 H106 118.9 . .
C111 C107 C108 117.26(17) . .
C111 C107 C106 117.18(16) . .
C108 C107 C106 125.51(17) . .
C109 C108 C107 117.21(17) . .
C109 C108 C119 118.69(17) . .
C107 C108 C119 124.10(17) . .
C108 C109 C110 121.34(18) . .
C108 C109 H109 119.3 . .
C110 C109 H109 119.3 . .
N102 C110 C109 122.32(18) . .
N102 C110 H110 118.8 . .
C109 C110 H110 118.8 . .
N102 C111 C107 124.14(17) . .
N102 C111 C112 115.67(16) . .
C107 C111 C112 120.19(16) . .
N101 C112 C104 123.44(16) . .
N101 C112 C111 115.60(16) . .
C104 C112 C111 120.94(16) . .
C114 C113 C118 118.69(17) . .
C114 C113 C103 120.97(17) . .
C118 C113 C103 120.26(17) . .
C115 C114 C113 120.16(19) . .
C115 C114 H114 119.9 . .
C113 C114 H114 119.9 . .
C114 C115 C116 120.63(19) . .
C114 C115 H115 119.7 . .
C116 C115 H115 119.7 . .
C117 C116 C115 119.78(19) . .
C117 C116 H116 120.1 . .
C115 C116 H116 120.1 . .
C116 C117 C118 120.08(19) . .
C116 C117 H117 120.0 . .
C118 C117 H117 120.0 . .
C117 C118 C113 120.66(18) . .
C117 C118 H118 119.7 . .
C113 C118 H118 119.7 . .
C120 C119 C124 118.54(18) . .
C120 C119 C108 118.62(18) . .
C124 C119 C108 122.65(18) . .
C121 C120 C119 120.7(2) . .
C121 C120 H120 119.7 . .
C119 C120 H120 119.7 . .
C122 C121 C120 120.3(2) . .
C122 C121 H121 119.8 . .
C120 C121 H121 119.8 . .
C123 C122 C121 119.68(19) . .
C123 C122 H122 120.2 . .
C121 C122 H122 120.2 . .
C122 C123 C124 120.4(2) . .
C122 C123 H123 119.8 . .
C124 C123 H123 119.8 . .
C123 C124 C119 120.3(2) . .
C123 C124 H124 119.8 . .
C119 C124 H124 119.8 . .
O102 C125 O101 124.08(18) . .
O102 C125 C126 119.65(17) . .
O101 C125 C126 116.20(16) . .
N103 C126 C125 112.60(15) . .
N103 C126 H12A 109.1 . .
C125 C126 H12A 109.1 . .
N103 C126 H12B 109.1 . .
C125 C126 H12B 109.1 . .
H12A C126 H12B 107.8 . .
N103 C127 C128 112.49(15) . .
N103 C127 H12C 109.1 . .
C128 C127 H12C 109.1 . .
N103 C127 H12D 109.1 . .
C128 C127 H12D 109.1 . .
H12C C127 H12D 107.8 . .
O104 C128 O103 126.02(18) . .
O104 C128 C127 117.92(16) . .
O103 C128 C127 116.03(17) . .
O201 Cu2 N202 93.76(6) . .
O201 Cu2 N201 156.08(6) . .
N202 Cu2 N201 81.39(6) . .
O201 Cu2 N203 85.91(6) . .
N202 Cu2 N203 175.51(6) . .
N201 Cu2 N203 100.69(6) . .
O201 Cu2 O204 103.39(6) . .
N202 Cu2 O204 97.61(6) . .
N201 Cu2 O204 100.47(6) . .
N203 Cu2 O204 78.13(6) . .
C225 O201 Cu2 115.28(13) . .
C228 O204 Cu2 111.98(11) . .
C201 N201 C212 118.08(16) . .
C201 N201 Cu2 128.75(13) . .
C212 N201 Cu2 113.16(12) . .
C210 N202 C211 117.81(16) . .
C210 N202 Cu2 128.06(13) . .
C211 N202 Cu2 113.97(12) . .
C227 N203 C226 111.70(14) . .
C227 N203 Cu2 109.18(11) . .
C226 N203 Cu2 106.08(12) . .
C227 N203 H203 104.7 . .
C226 N203 H203 110.6 . .
Cu2 N203 H203 114.7 . .
N201 C201 C202 122.32(17) . .
N201 C201 H201 118.8 . .
C202 C201 H201 118.8 . .
C203 C202 C201 121.24(17) . .
C203 C202 H202 119.4 . .
C201 C202 H202 119.4 . .
C202 C203 C204 117.34(17) . .
C202 C203 C219 118.74(16) . .
C204 C203 C219 123.83(16) . .
C212 C204 C203 117.51(16) . .
C212 C204 C205 117.64(16) . .
C203 C204 C205 124.83(16) . .
C206 C205 C204 121.50(17) . .
C206 C205 H205 119.2 . .
C204 C205 H205 119.2 . .
C205 C206 C207 121.76(17) . .
C205 C206 H206 119.1 . .
C207 C206 H206 119.1 . .
C211 C207 C208 117.52(16) . .
C211 C207 C206 117.39(16) . .
C208 C207 C206 125.09(16) . .
C209 C208 C207 116.76(17) . .
C209 C208 C213 119.61(17) . .
C207 C208 C213 123.63(16) . .
C208 C209 C210 121.66(18) . .
C208 C209 H209 119.2 . .
C210 C209 H209 119.2 . .
N202 C210 C209 122.24(17) . .
N202 C210 H210 118.9 . .
C209 C210 H210 118.9 . .
N202 C211 C207 123.96(17) . .
N202 C211 C212 115.22(16) . .
C207 C211 C212 120.81(16) . .
N201 C212 C204 123.36(16) . .
N201 C212 C211 116.08(16) . .
C204 C212 C211 120.54(16) . .
C214 C213 C218 118.26(18) . .
C214 C213 C208 119.37(18) . .
C218 C213 C208 122.30(17) . .
C215 C214 C213 120.8(2) . .
C215 C214 H214 119.6 . .
C213 C214 H214 119.6 . .
C216 C215 C214 120.57(19) . .
C216 C215 H215 119.7 . .
C214 C215 H215 119.7 . .
C215 C216 C217 119.5(2) . .
C215 C216 H216 120.3 . .
C217 C216 H216 120.3 . .
C218 C217 C216 120.4(2) . .
C218 C217 H217 119.8 . .
C216 C217 H217 119.8 . .
C217 C218 C213 120.44(18) . .
C217 C218 H218 119.8 . .
C213 C218 H218 119.8 . .
C220 C219 C224 119.26(18) . .
C220 C219 C203 119.72(18) . .
C224 C219 C203 120.60(18) . .
C223 C224 C219 119.87(19) . .
C223 C224 H224 120.1 . .
C219 C224 H224 120.1 . .
C222 C223 C224 120.2(2) . .
C222 C223 H223 119.9 . .
C224 C223 H223 119.9 . .
C221 C222 C223 120.3(2) . .
C221 C222 H222 119.8 . .
C223 C222 H222 119.8 . .
C222 C221 C220 119.7(2) . .
C222 C221 H221 120.1 . .
C220 C221 H221 120.1 . .
C221 C220 C219 120.5(2) . .
C221 C220 H220 119.7 . .
C219 C220 H220 119.7 . .
O202 C225 O201 124.2(2) . .
O202 C225 C226 118.65(18) . .
O201 C225 C226 117.11(17) . .
N203 C226 C225 113.18(16) . .
N203 C226 H22A 108.9 . .
C225 C226 H22A 108.9 . .
N203 C226 H22B 108.9 . .
C225 C226 H22B 108.9 . .
H22A C226 H22B 107.8 . .
N203 C227 C228 112.05(15) . .
N203 C227 H22C 109.2 . .
C228 C227 H22C 109.2 . .
N203 C227 H22D 109.2 . .
C228 C227 H22D 109.2 . .
H22C C227 H22D 107.9 . .
O203 C228 O204 126.33(18) . .
O203 C228 C227 116.68(17) . .
O204 C228 C227 116.95(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O4 H4A 0.9013 .
O4 H4B 0.8717 .
O1 C1 1.214(6) .
O1 H1 0.8200 .
O5 H5A 0.9050 .
O5 H5B 0.9225 .
O6 H6A 0.8518 .
O6 H6B 0.8565 .
O7 H7A 0.8879 .
O7 H7B 0.8823 .
O8 H8A 0.8355 .
O8 H8B 0.8473 .
O9 H9A 0.8835 .
O9 H9B 0.8911 .
C2 O2 1.253(5) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
O2 H2 0.8200 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
Cu1 O101 1.9441(13) .
Cu1 N101 1.9780(15) .
Cu1 N103 2.0102(15) .
Cu1 N102 2.0249(15) .
Cu1 O104 2.1972(13) .
O101 C125 1.286(2) .
O102 C125 1.234(2) .
O103 C128 1.258(2) .
O104 C128 1.249(2) .
N101 C101 1.331(2) .
N101 C112 1.358(2) .
N102 C110 1.332(2) .
N102 C111 1.358(2) .
N103 C127 1.480(2) .
N103 C126 1.482(2) .
N103 H103 0.8509 .
C101 C102 1.391(3) .
C101 H101 0.9300 .
C102 C103 1.390(3) .
C102 H102 0.9300 .
C103 C104 1.430(3) .
C103 C113 1.477(2) .
C104 C112 1.401(2) .
C104 C105 1.435(2) .
C105 C106 1.359(3) .
C105 H105 0.9300 .
C106 C107 1.437(3) .
C106 H106 0.9300 .
C107 C111 1.407(2) .
C107 C108 1.429(3) .
C108 C109 1.386(3) .
C108 C119 1.485(2) .
C109 C110 1.394(3) .
C109 H109 0.9300 .
C110 H110 0.9300 .
C111 C112 1.443(2) .
C113 C114 1.400(3) .
C113 C118 1.401(3) .
C114 C115 1.382(3) .
C114 H114 0.9300 .
C115 C116 1.388(3) .
C115 H115 0.9300 .
C116 C117 1.384(3) .
C116 H116 0.9300 .
C117 C118 1.385(3) .
C117 H117 0.9300 .
C118 H118 0.9300 .
C119 C120 1.400(3) .
C119 C124 1.400(3) .
C120 C121 1.388(3) .
C120 H120 0.9300 .
C121 C122 1.386(3) .
C121 H121 0.9300 .
C122 C123 1.385(3) .
C122 H122 0.9300 .
C123 C124 1.394(3) .
C123 H123 0.9300 .
C124 H124 0.9300 .
C125 C126 1.522(3) .
C126 H12A 0.9700 .
C126 H12B 0.9700 .
C127 C128 1.536(3) .
C127 H12C 0.9700 .
C127 H12D 0.9700 .
Cu2 O201 1.9269(14) .
Cu2 N202 1.9994(16) .
Cu2 N201 2.0074(16) .
Cu2 N203 2.0381(16) .
Cu2 O204 2.2188(13) .
O201 C225 1.288(2) .
O202 C225 1.232(2) .
O203 C228 1.247(2) .
O204 C228 1.262(2) .
N201 C201 1.326(2) .
N201 C212 1.367(2) .
N202 C210 1.327(2) .
N202 C211 1.363(2) .
N203 C227 1.482(2) .
N203 C226 1.486(2) .
N203 H203 0.8946 .
C201 C202 1.392(3) .
C201 H201 0.9300 .
C202 C203 1.385(3) .
C202 H202 0.9300 .
C203 C204 1.427(3) .
C203 C219 1.477(3) .
C204 C212 1.406(2) .
C204 C205 1.436(2) .
C205 C206 1.359(3) .
C205 H205 0.9300 .
C206 C207 1.435(2) .
C206 H206 0.9300 .
C207 C211 1.407(2) .
C207 C208 1.432(3) .
C208 C209 1.390(3) .
C208 C213 1.486(3) .
C209 C210 1.396(3) .
C209 H209 0.9300 .
C210 H210 0.9300 .
C211 C212 1.430(3) .
C213 C214 1.397(3) .
C213 C218 1.406(3) .
C214 C215 1.385(3) .
C214 H214 0.9300 .
C215 C216 1.382(3) .
C215 H215 0.9300 .
C216 C217 1.392(3) .
C216 H216 0.9300 .
C217 C218 1.388(3) .
C217 H217 0.9300 .
C218 H218 0.9300 .
C219 C220 1.395(3) .
C219 C224 1.395(3) .
C224 C223 1.389(3) .
C224 H224 0.9300 .
C223 C222 1.384(3) .
C223 H223 0.9300 .
C222 C221 1.382(4) .
C222 H222 0.9300 .
C221 C220 1.386(3) .
C221 H221 0.9300 .
C220 H220 0.9300 .
C225 C226 1.519(3) .
C226 H22A 0.9700 .
C226 H22B 0.9700 .
C227 C228 1.528(3) .
C227 H22C 0.9700 .
C227 H22D 0.9700 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C112 N101 C101 C102 3.3(3) . . . .
Cu1 N101 C101 C102 -164.80(14) . . . .
N101 C101 C102 C103 -1.9(3) . . . .
C101 C102 C103 C104 -3.6(3) . . . .
C101 C102 C103 C113 173.76(17) . . . .
C102 C103 C104 C112 7.3(2) . . . .
C113 C103 C104 C112 -169.95(16) . . . .
C102 C103 C104 C105 -171.59(17) . . . .
C113 C103 C104 C105 11.2(3) . . . .
C112 C104 C105 C106 6.5(3) . . . .
C103 C104 C105 C106 -174.62(18) . . . .
C104 C105 C106 C107 1.6(3) . . . .
C105 C106 C107 C111 -6.9(3) . . . .
C105 C106 C107 C108 175.68(18) . . . .
C111 C107 C108 C109 -2.9(2) . . . .
C106 C107 C108 C109 174.55(17) . . . .
C111 C107 C108 C119 176.70(17) . . . .
C106 C107 C108 C119 -5.8(3) . . . .
C107 C108 C109 C110 1.3(3) . . . .
C119 C108 C109 C110 -178.28(17) . . . .
C111 N102 C110 C109 -3.1(3) . . . .
Cu1 N102 C110 C109 173.44(14) . . . .
C108 C109 C110 N102 1.8(3) . . . .
C110 N102 C111 C107 1.3(3) . . . .
Cu1 N102 C111 C107 -175.79(14) . . . .
C110 N102 C111 C112 -178.75(16) . . . .
Cu1 N102 C111 C112 4.16(19) . . . .
C108 C107 C111 N102 1.7(3) . . . .
C106 C107 C111 N102 -175.97(16) . . . .
C108 C107 C111 C112 -178.24(16) . . . .
C106 C107 C111 C112 4.1(2) . . . .
C101 N101 C112 C104 0.9(3) . . . .
Cu1 N101 C112 C104 170.52(14) . . . .
C101 N101 C112 C111 -177.33(16) . . . .
Cu1 N101 C112 C111 -7.73(19) . . . .
C103 C104 C112 N101 -6.3(3) . . . .
C105 C104 C112 N101 172.71(16) . . . .
C103 C104 C112 C111 171.89(16) . . . .
C105 C104 C112 C111 -9.1(3) . . . .
N102 C111 C112 N101 2.3(2) . . . .
C107 C111 C112 N101 -177.79(16) . . . .
N102 C111 C112 C104 -176.04(16) . . . .
C107 C111 C112 C104 3.9(3) . . . .
C102 C103 C113 C114 -138.64(19) . . . .
C104 C103 C113 C114 38.5(3) . . . .
C102 C103 C113 C118 38.0(3) . . . .
C104 C103 C113 C118 -144.85(18) . . . .
C118 C113 C114 C115 0.7(3) . . . .
C103 C113 C114 C115 177.40(18) . . . .
C113 C114 C115 C116 -0.1(3) . . . .
C114 C115 C116 C117 -0.2(3) . . . .
C115 C116 C117 C118 0.0(3) . . . .
C116 C117 C118 C113 0.7(3) . . . .
C114 C113 C118 C117 -1.0(3) . . . .
C103 C113 C118 C117 -177.70(18) . . . .
C109 C108 C119 C120 -36.3(3) . . . .
C107 C108 C119 C120 144.07(19) . . . .
C109 C108 C119 C124 138.61(19) . . . .
C107 C108 C119 C124 -41.0(3) . . . .
C124 C119 C120 C121 -1.5(3) . . . .
C108 C119 C120 C121 173.60(18) . . . .
C119 C120 C121 C122 -0.6(3) . . . .
C120 C121 C122 C123 2.4(3) . . . .
C121 C122 C123 C124 -2.1(3) . . . .
C122 C123 C124 C119 -0.1(3) . . . .
C120 C119 C124 C123 1.9(3) . . . .
C108 C119 C124 C123 -173.04(18) . . . .
Cu1 O101 C125 O102 172.26(14) . . . .
Cu1 O101 C125 C126 -10.8(2) . . . .
C127 N103 C126 C125 -138.60(16) . . . .
Cu1 N103 C126 C125 -19.69(18) . . . .
O102 C125 C126 N103 -161.69(16) . . . .
O101 C125 C126 N103 21.2(2) . . . .
C126 N103 C127 C128 86.84(19) . . . .
Cu1 N103 C127 C128 -30.60(18) . . . .
Cu1 O104 C128 O103 -169.29(16) . . . .
Cu1 O104 C128 C127 8.6(2) . . . .
N103 C127 C128 O104 14.1(2) . . . .
N103 C127 C128 O103 -167.78(16) . . . .
C212 N201 C201 C202 1.6(3) . . . .
Cu2 N201 C201 C202 -177.99(14) . . . .
N201 C201 C202 C203 0.1(3) . . . .
C201 C202 C203 C204 -3.1(3) . . . .
C201 C202 C203 C219 173.59(18) . . . .
C202 C203 C204 C212 4.3(3) . . . .
C219 C203 C204 C212 -172.21(17) . . . .
C202 C203 C204 C205 -174.17(18) . . . .
C219 C203 C204 C205 9.3(3) . . . .
C212 C204 C205 C206 3.3(3) . . . .
C203 C204 C205 C206 -178.20(18) . . . .
C204 C205 C206 C207 2.3(3) . . . .
C205 C206 C207 C211 -5.5(3) . . . .
C205 C206 C207 C208 174.98(17) . . . .
C211 C207 C208 C209 -2.7(2) . . . .
C206 C207 C208 C209 176.82(17) . . . .
C211 C207 C208 C213 176.68(16) . . . .
C206 C207 C208 C213 -3.8(3) . . . .
C207 C208 C209 C210 2.1(3) . . . .
C213 C208 C209 C210 -177.33(17) . . . .
C211 N202 C210 C209 -1.7(3) . . . .
Cu2 N202 C210 C209 -176.83(14) . . . .
C208 C209 C210 N202 0.1(3) . . . .
C210 N202 C211 C207 0.9(3) . . . .
Cu2 N202 C211 C207 176.74(13) . . . .
C210 N202 C211 C212 179.73(16) . . . .
Cu2 N202 C211 C212 -4.44(19) . . . .
C208 C207 C211 N202 1.3(3) . . . .
C206 C207 C211 N202 -178.25(16) . . . .
C208 C207 C211 C212 -177.42(16) . . . .
C206 C207 C211 C212 3.0(2) . . . .
C201 N201 C212 C204 -0.2(3) . . . .
Cu2 N201 C212 C204 179.49(14) . . . .
C201 N201 C212 C211 -178.77(16) . . . .
Cu2 N201 C212 C211 0.89(19) . . . .
C203 C204 C212 N201 -2.8(3) . . . .
C205 C204 C212 N201 175.77(16) . . . .
C203 C204 C212 C211 175.70(16) . . . .
C205 C204 C212 C211 -5.7(3) . . . .
N202 C211 C212 N201 2.4(2) . . . .
C207 C211 C212 N201 -178.79(16) . . . .
N202 C211 C212 C204 -176.29(16) . . . .
C207 C211 C212 C204 2.6(3) . . . .
C209 C208 C213 C214 -37.2(3) . . . .
C207 C208 C213 C214 143.41(18) . . . .
C209 C208 C213 C218 139.83(19) . . . .
C207 C208 C213 C218 -39.6(3) . . . .
C218 C213 C214 C215 2.8(3) . . . .
C208 C213 C214 C215 179.96(18) . . . .
C213 C214 C215 C216 -1.7(3) . . . .
C214 C215 C216 C217 -0.5(3) . . . .
C215 C216 C217 C218 1.6(3) . . . .
C216 C217 C218 C213 -0.5(3) . . . .
C214 C213 C218 C217 -1.7(3) . . . .
C208 C213 C218 C217 -178.77(18) . . . .
C202 C203 C219 C220 41.8(3) . . . .
C204 C203 C219 C220 -141.7(2) . . . .
C202 C203 C219 C224 -130.7(2) . . . .
C204 C203 C219 C224 45.8(3) . . . .
C220 C219 C224 C223 -2.2(3) . . . .
C203 C219 C224 C223 170.33(18) . . . .
C219 C224 C223 C222 1.3(3) . . . .
C224 C223 C222 C221 0.8(3) . . . .
C223 C222 C221 C220 -1.8(3) . . . .
C222 C221 C220 C219 0.9(3) . . . .
C224 C219 C220 C221 1.1(3) . . . .
C203 C219 C220 C221 -171.46(19) . . . .
Cu2 O201 C225 O202 -173.31(15) . . . .
Cu2 O201 C225 C226 6.2(2) . . . .
C227 N203 C226 C225 -132.91(16) . . . .
Cu2 N203 C226 C225 -14.05(18) . . . .
O202 C225 C226 N203 -174.26(16) . . . .
O201 C225 C226 N203 6.2(2) . . . .
C226 N203 C227 C228 83.04(19) . . . .
Cu2 N203 C227 C228 -33.97(17) . . . .
Cu2 O204 C228 O203 -166.99(15) . . . .
Cu2 O204 C228 C227 10.49(19) . . . .
N203 C227 C228 O203 -167.42(16) . . . .
N203 C227 C228 O204 14.9(2) . . . .
