#------------------------------------------------------------------------------
#$Date: 2021-11-30 11:58:31 +0200 (Tue, 30 Nov 2021) $
#$Revision: 270937 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565445.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_1565445
loop_
_publ_author_name
'Zhao, Fang-Hua'
'Li, Zhong-Lin'
'He, Yuan-Chun'
'Zhang, Mei'
'Han, Jun'
'Fan, Sheng-Qing'
'Li, Yu-Shuo'
'You, Jin-Mao'
_publ_section_title
;
 Syntheses, structures and magnetism of two Cu(II) coordination polymers
 of d-camphorate controlled by metal-ligand ratio
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119387
_journal_paper_doi               10.1016/j.ica.2019.119387
_journal_volume                  502
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_sum            'C30 H39 Cu2 N4 O8'
_chemical_formula_weight         710.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 118.685(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.562(17)
_cell_length_b                   12.450(9)
_cell_length_c                   13.909(12)
_cell_measurement_reflns_used    5555
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.7
_cell_volume                     3124(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0972
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16250
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.867
_diffrn_reflns_theta_min         1.669
_exptl_absorpt_coefficient_mu    1.417
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_description       block
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.972
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details
;
 Flack x determined using 1563 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.100(17)
_refine_ls_extinction_coef       0.0019(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7222
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0902
_refine_ls_R_factor_gt           0.0741
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0884P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1886
_reflns_Friedel_coverage         0.859
_reflns_Friedel_fraction_full    0.972
_reflns_Friedel_fraction_max     0.938
_reflns_number_gt                5682
_reflns_number_total             7222
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               1565445
_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   0.755
_shelx_estimated_absorpt_t_max   0.784
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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
C1 C 0.4140(6) 0.3105(9) 0.8062(8) 0.029(2) Uani 1 1 d . . . . .
H1 H 0.371048 0.267649 0.766636 0.035 Uiso 1 1 calc R U . . .
C2 C 0.4852(6) 0.4460(10) 0.8795(8) 0.035(2) Uani 1 1 d . . . . .
H2 H 0.501525 0.517673 0.901015 0.042 Uiso 1 1 calc R U . . .
C3 C 0.5321(6) 0.3545(11) 0.9058(9) 0.040(3) Uani 1 1 d . . . . .
H3 H 0.584635 0.351674 0.947548 0.048 Uiso 1 1 calc R U . . .
C4 C 0.5039(7) 0.1548(10) 0.8672(9) 0.042(3) Uani 1 1 d . . . . .
H4A H 0.544033 0.143961 0.848030 0.050 Uiso 1 1 calc R U . . .
H4B H 0.460323 0.112744 0.815004 0.050 Uiso 1 1 calc R U . . .
C5 C 0.5294(6) 0.1143(9) 0.9829(8) 0.036(2) Uani 1 1 d . . . . .
H5A H 0.548331 0.040096 0.988719 0.043 Uiso 1 1 calc R U . . .
H5B H 0.571167 0.159538 1.034636 0.043 Uiso 1 1 calc R U . . .
C6 C -0.0351(7) 0.9731(12) 0.5095(9) 0.055(3) Uani 1 1 d . . . . .
H6A H -0.054577 1.047233 0.500713 0.066 Uiso 1 1 calc R U . . .
H6B H -0.074347 0.927849 0.452725 0.066 Uiso 1 1 calc R U . . .
C7 C -0.0173(7) 0.9307(9) 0.6241(8) 0.042(3) Uani 1 1 d . . . . .
H7A H 0.022778 0.974341 0.681449 0.050 Uiso 1 1 calc R U . . .
H7B H -0.061797 0.937153 0.633839 0.050 Uiso 1 1 calc R U . . .
C8 C 0.0762(6) 0.7801(10) 0.6874(8) 0.036(3) Uani 1 1 d . . . . .
H8 H 0.118692 0.824246 0.725466 0.043 Uiso 1 1 calc R U . . .
C9 C 0.0068(6) 0.6438(10) 0.6188(7) 0.032(2) Uani 1 1 d . . . . .
H9 H -0.009048 0.571703 0.598830 0.038 Uiso 1 1 calc R U . . .
C10 C -0.0382(6) 0.7277(9) 0.5914(7) 0.032(2) Uani 1 1 d . . . . .
H10 H -0.090762 0.726186 0.549580 0.038 Uiso 1 1 calc R U . . .
C11 C 0.1979(6) 0.3744(8) 0.7774(7) 0.031(2) Uani 1 1 d . . . . .
C12 C 0.1730(7) 0.2629(9) 0.8011(8) 0.038(3) Uani 1 1 d . . . . .
C13 C 0.2179(8) 0.2294(9) 0.9203(9) 0.087(6) Uani 1 1 d D . . . .
C14 C 0.3211(6) 0.6432(10) 1.0619(8) 0.043(3) Uani 1 1 d . . . . .
H14 H 0.319751 0.580912 1.106269 0.051 Uiso 1 1 calc R U . . .
C15 C 0.2941(6) 0.6016(10) 0.9450(8) 0.040(3) Uani 1 1 d . . . . .
C16 C 0.0989(12) 0.180(4) 0.8869(18) 0.31(3) Uani 1 1 d . . . . .
H16A H 0.085125 0.200964 0.943403 0.367 Uiso 1 1 calc R U . . .
H16B H 0.064509 0.123422 0.839632 0.367 Uiso 1 1 calc R U . . .
C17 C 0.0993(10) 0.2778(16) 0.819(2) 0.167(13) Uani 1 1 d . . . . .
H17A H 0.102823 0.345477 0.858374 0.201 Uiso 1 1 calc R U . . .
H17B H 0.053448 0.279556 0.747206 0.201 Uiso 1 1 calc R U . . .
C18 C 0.2833(11) 0.1646(19) 0.9282(14) 0.128(10) Uani 1 1 d D . . . .
C19 C 0.2398(8) 0.3246(10) 0.9975(9) 0.044(3) Uani 1 1 d . . . . .
H19A H 0.196170 0.351129 1.001250 0.066 Uiso 1 1 calc R U . . .
H19B H 0.259468 0.381824 0.970374 0.066 Uiso 1 1 calc R U . . .
H19C H 0.277795 0.302442 1.070694 0.066 Uiso 1 1 calc R U . . .
C20 C 0.1696(13) 0.1844(15) 0.7268(16) 0.125(8) Uani 1 1 d . U . . .
H20A H 0.214616 0.140310 0.760864 0.188 Uiso 1 1 calc R U . . .
H20B H 0.165743 0.219136 0.661053 0.188 Uiso 1 1 calc R U . . .
H20C H 0.126144 0.138669 0.706526 0.188 Uiso 1 1 calc R U . . .
C21 C 0.2970(6) 0.7303(10) 0.7227(8) 0.035(3) Uani 1 1 d . . . . .
C22 C 0.3251(7) 0.8375(9) 0.7064(8) 0.036(3) Uani 1 1 d . . . . .
C23 C 0.3234(5) 0.8433(7) 0.5915(7) 0.0267(19) Uani 1 1 d . . . . .
C24 C 0.1809(6) 0.4694(8) 0.4289(7) 0.034(2) Uani 1 1 d . . . . .
H24 H 0.130453 0.500016 0.381280 0.041 Uiso 1 1 calc R U . . .
C25 C 0.2039(5) 0.4994(8) 0.5478(6) 0.0255(19) Uani 1 1 d . . . . .
C26 C 0.2676(7) 1.0106(8) 0.6136(8) 0.049(3) Uani 1 1 d . . . . .
H26A H 0.285139 1.081080 0.649783 0.059 Uiso 1 1 calc R U . . .
H26B H 0.216747 1.019553 0.551942 0.059 Uiso 1 1 calc R U . . .
C27 C 0.2676(7) 0.9299(7) 0.6942(8) 0.040(3) Uani 1 1 d . . . . .
H27A H 0.217397 0.899316 0.667171 0.048 Uiso 1 1 calc R U . . .
H27B H 0.282853 0.964573 0.765922 0.048 Uiso 1 1 calc R U . . .
C28 C 0.4009(9) 0.8567(11) 0.8048(10) 0.073(4) Uani 1 1 d . . . . .
H28A H 0.395181 0.872462 0.869326 0.109 Uiso 1 1 calc R U . . .
H28B H 0.424892 0.917617 0.789811 0.109 Uiso 1 1 calc R U . . .
H28C H 0.431566 0.792289 0.818584 0.109 Uiso 1 1 calc R U . . .
C29 C 0.2572(9) 0.7841(9) 0.5033(10) 0.054(3) Uani 1 1 d . . . . .
H29A H 0.256594 0.792281 0.432855 0.081 Uiso 1 1 calc R U . . .
H29B H 0.211434 0.813930 0.497931 0.081 Uiso 1 1 calc R U . . .
H29C H 0.260666 0.707668 0.522196 0.081 Uiso 1 1 calc R U . . .
C30 C 0.3944(8) 0.7961(12) 0.5966(11) 0.068(5) Uani 1 1 d . . . . .
H30A H 0.405832 0.726963 0.634962 0.102 Uiso 1 1 calc R U . . .
H30B H 0.435819 0.845836 0.636155 0.102 Uiso 1 1 calc R U . . .
H30C H 0.386734 0.785622 0.522074 0.102 Uiso 1 1 calc R U . . .
Cu1 Cu 0.18004(7) 0.59095(7) 0.71684(9) 0.0267(3) Uani 1 1 d . . . . .
Cu2 Cu 0.31443(7) 0.50906(8) 0.77620(9) 0.0297(4) Uani 1 1 d . . . . .
N1 N 0.4129(5) 0.4144(7) 0.8184(6) 0.0284(18) Uani 1 1 d . . . . .
N2 N 0.4839(5) 0.2717(8) 0.8568(7) 0.031(2) Uani 1 1 d . . . . .
N3 N 0.0057(5) 0.8185(8) 0.6353(7) 0.037(2) Uani 1 1 d . . . . .
N4 N 0.0791(5) 0.6751(8) 0.6796(7) 0.033(2) Uani 1 1 d . . . . .
O1 O 0.1504(4) 0.4506(6) 0.7485(6) 0.0378(18) Uani 1 1 d . . . . .
O2 O 0.2598(5) 0.3777(6) 0.7869(7) 0.044(2) Uani 1 1 d . . . . .
O3 O 0.2294(4) 0.6212(7) 0.8758(5) 0.041(2) Uani 1 1 d . . . . .
O4 O 0.3410(4) 0.5516(7) 0.9281(5) 0.044(2) Uani 1 1 d . . . . .
O5 O 0.3431(4) 0.6555(6) 0.7573(5) 0.0326(17) Uani 1 1 d . . . . .
O6 O 0.2280(5) 0.7182(7) 0.6978(7) 0.043(2) Uani 1 1 d . . . . .
O7 O 0.2719(4) 0.4848(6) 0.6169(5) 0.0333(17) Uani 1 1 d . . . . .
O8 O 0.1556(4) 0.5377(6) 0.5695(5) 0.0361(18) Uani 1 1 d . . . . .
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
N1 C1 N2 111.5(10) . .
N1 C1 H1 124.2 . .
N2 C1 H1 124.2 . .
N1 C2 C3 109.3(10) . .
N1 C2 H2 125.4 . .
C3 C2 H2 125.4 . .
N2 C3 C2 103.6(9) . .
N2 C3 H3 128.2 . .
C2 C3 H3 128.2 . .
N2 C4 C5 111.3(9) . .
N2 C4 H4A 109.4 . .
C5 C4 H4A 109.4 . .
N2 C4 H4B 109.4 . .
C5 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C5 C5 C4 114.6(11) 2_657 .
C5 C5 H5A 108.6 2_657 .
C4 C5 H5A 108.6 . .
C5 C5 H5B 108.6 2_657 .
C4 C5 H5B 108.6 . .
H5A C5 H5B 107.6 . .
C7 C6 C6 112.8(12) . 2_556
C7 C6 H6A 109.0 . .
C6 C6 H6A 109.0 2_556 .
C7 C6 H6B 109.0 . .
C6 C6 H6B 109.0 2_556 .
H6A C6 H6B 107.8 . .
N3 C7 C6 109.9(9) . .
N3 C7 H7A 109.7 . .
C6 C7 H7A 109.7 . .
N3 C7 H7B 109.7 . .
C6 C7 H7B 109.7 . .
H7A C7 H7B 108.2 . .
N4 C8 N3 112.7(11) . .
N4 C8 H8 123.7 . .
N3 C8 H8 123.7 . .
C10 C9 N4 110.9(10) . .
C10 C9 H9 124.6 . .
N4 C9 H9 124.6 . .
C9 C10 N3 107.3(9) . .
C9 C10 H10 126.4 . .
N3 C10 H10 126.4 . .
O2 C11 O1 127.6(10) . .
O2 C11 C12 115.9(10) . .
O1 C11 C12 116.5(9) . .
C20 C12 C13 113.8(13) . .
C20 C12 C11 111.7(10) . .
C13 C12 C11 112.6(9) . .
C20 C12 C17 117.6(15) . .
C13 C12 C17 89.3(11) . .
C11 C12 C17 110.2(10) . .
C14 C13 C19 117.7(10) 4_547 .
C14 C13 C12 107.3(10) 4_547 .
C19 C13 C12 112.1(10) . .
C14 C13 C18 98.0(13) 4_547 .
C19 C13 C18 114.2(14) . .
C12 C13 C18 106.0(10) . .
C13 C14 C16 105.3(15) 4_557 4_557
C13 C14 C15 119.3(9) 4_557 .
C16 C14 C15 111.1(11) 4_557 .
C13 C14 H14 106.8 4_557 .
C16 C14 H14 106.8 4_557 .
C15 C14 H14 106.8 . .
O3 C15 O4 125.9(10) . .
O3 C15 C14 117.8(10) . .
O4 C15 C14 116.3(10) . .
C14 C16 C17 101.6(14) 4_547 .
C14 C16 H16A 111.4 4_547 .
C17 C16 H16A 111.4 . .
C14 C16 H16B 111.4 4_547 .
C17 C16 H16B 111.4 . .
H16A C16 H16B 109.3 . .
C16 C17 C12 106.1(17) . .
C16 C17 H17A 110.5 . .
C12 C17 H17A 110.5 . .
C16 C17 H17B 110.5 . .
C12 C17 H17B 110.5 . .
H17A C17 H17B 108.7 . .
C13 C19 H19A 109.5 . .
C13 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C13 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C12 C20 H20A 109.5 . .
C12 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C12 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O5 C21 O6 123.1(11) . .
O5 C21 C22 116.3(10) . .
O6 C21 C22 120.6(10) . .
C21 C22 C28 107.7(10) . .
C21 C22 C23 111.5(8) . .
C28 C22 C23 114.7(10) . .
C21 C22 C27 109.6(9) . .
C28 C22 C27 111.7(10) . .
C23 C22 C27 101.7(8) . .
C29 C23 C30 108.3(10) . .
C29 C23 C22 111.7(9) . .
C30 C23 C22 112.0(9) . .
C29 C23 C24 112.6(8) . 4_556
C30 C23 C24 110.7(9) . 4_556
C22 C23 C24 101.4(7) . 4_556
C26 C24 C25 115.0(9) 4_546 .
C26 C24 C23 104.5(8) 4_546 4_546
C25 C24 C23 113.3(7) . 4_546
C26 C24 H24 107.9 4_546 .
C25 C24 H24 107.9 . .
C23 C24 H24 107.9 4_546 .
O8 C25 O7 125.3(8) . .
O8 C25 C24 118.6(8) . .
O7 C25 C24 116.1(8) . .
C27 C26 C24 108.2(8) . 4_556
C27 C26 H26A 110.1 . .
C24 C26 H26A 110.1 4_556 .
C27 C26 H26B 110.1 . .
C24 C26 H26B 110.1 4_556 .
H26A C26 H26B 108.4 . .
C26 C27 C22 107.2(7) . .
C26 C27 H27A 110.3 . .
C22 C27 H27A 110.3 . .
C26 C27 H27B 110.3 . .
C22 C27 H27B 110.3 . .
H27A C27 H27B 108.5 . .
C22 C28 H28A 109.5 . .
C22 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C22 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C23 C29 H29A 109.5 . .
C23 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C23 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C23 C30 H30A 109.5 . .
C23 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C23 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O6 Cu1 O1 169.2(3) . .
O6 Cu1 O8 91.4(3) . .
O1 Cu1 O8 89.0(3) . .
O6 Cu1 O3 88.6(4) . .
O1 Cu1 O3 88.1(3) . .
O8 Cu1 O3 164.3(3) . .
O6 Cu1 N4 93.7(3) . .
O1 Cu1 N4 96.9(3) . .
O8 Cu1 N4 100.2(3) . .
O3 Cu1 N4 95.4(3) . .
O6 Cu1 Cu2 80.6(2) . .
O1 Cu1 Cu2 88.7(2) . .
O8 Cu1 Cu2 84.4(2) . .
O3 Cu1 Cu2 80.1(2) . .
N4 Cu1 Cu2 172.8(3) . .
O5 Cu2 O7 89.5(3) . .
O5 Cu2 O4 87.0(3) . .
O7 Cu2 O4 169.2(3) . .
O5 Cu2 O2 165.0(3) . .
O7 Cu2 O2 89.8(3) . .
O4 Cu2 O2 90.9(3) . .
O5 Cu2 N1 103.8(3) . .
O7 Cu2 N1 94.3(3) . .
O4 Cu2 N1 96.5(3) . .
O2 Cu2 N1 91.2(3) . .
O5 Cu2 Cu1 86.4(2) . .
O7 Cu2 Cu1 82.9(2) . .
O4 Cu2 Cu1 86.7(2) . .
O2 Cu2 Cu1 78.7(2) . .
N1 Cu2 Cu1 169.4(2) . .
C1 N1 C2 106.5(9) . .
C1 N1 Cu2 125.1(8) . .
C2 N1 Cu2 127.4(8) . .
C1 N2 C3 109.1(10) . .
C1 N2 C4 124.9(10) . .
C3 N2 C4 125.7(10) . .
C8 N3 C10 104.5(10) . .
C8 N3 C7 127.1(11) . .
C10 N3 C7 128.4(10) . .
C8 N4 C9 104.7(10) . .
C8 N4 Cu1 122.8(8) . .
C9 N4 Cu1 130.3(8) . .
C11 O1 Cu1 117.2(7) . .
C11 O2 Cu2 127.4(7) . .
C15 O3 Cu1 128.0(7) . .
C15 O4 Cu2 119.0(7) . .
C21 O5 Cu2 121.4(7) . .
C21 O6 Cu1 128.1(8) . .
C25 O7 Cu2 124.1(6) . .
C25 O8 Cu1 122.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.306(14) .
C1 N2 1.349(13) .
C1 H1 0.9500 .
C2 N1 1.369(13) .
C2 C3 1.422(16) .
C2 H2 0.9500 .
C3 N2 1.364(14) .
C3 H3 0.9500 .
C4 N2 1.501(14) .
C4 C5 1.519(13) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C5 1.498(18) 2_657
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.547(14) .
C6 C6 1.59(2) 2_556
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 N3 1.460(14) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 N4 1.316(14) .
C8 N3 1.358(14) .
C8 H8 0.9500 .
C9 C10 1.324(15) .
C9 N4 1.369(13) .
C9 H9 0.9500 .
C10 N3 1.392(15) .
C10 H10 0.9500 .
C11 O2 1.216(12) .
C11 O1 1.279(13) .
C11 C12 1.569(14) .
C12 C20 1.399(18) .
C12 C13 1.519(14) .
C12 C17 1.66(2) .
C13 C14 1.431(16) 4_547
C13 C19 1.516(15) .
C13 C18 1.527(12) .
C14 C16 1.52(3) 4_557
C14 C15 1.534(14) .
C14 H14 1.0000 .
C15 O3 1.236(12) .
C15 O4 1.261(13) .
C16 C17 1.55(3) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 O5 1.249(13) .
C21 O6 1.297(13) .
C21 C22 1.514(15) .
C22 C28 1.521(16) .
C22 C23 1.583(12) .
C22 C27 1.598(15) .
C23 C29 1.516(16) .
C23 C30 1.544(14) .
C23 C24 1.591(13) 4_556
C24 C26 1.528(13) 4_546
C24 C25 1.532(11) .
C24 H24 1.0000 .
C25 O8 1.262(11) .
C25 O7 1.273(11) .
C26 C27 1.505(12) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
Cu1 O6 1.951(8) .
Cu1 O1 1.968(8) .
Cu1 O8 1.976(6) .
Cu1 O3 1.976(7) .
Cu1 N4 2.153(9) .
Cu1 Cu2 2.677(2) .
Cu2 O5 1.972(8) .
Cu2 O7 1.976(6) .
Cu2 O4 1.984(7) .
Cu2 O2 2.029(8) .
Cu2 N1 2.167(9) .
