#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/00/7210043.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_7210043
loop_
_publ_author_name
'Yang, Yan'
'Du, Peng'
'Yang, Jin'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of Cu(ii) and Cd(ii) coordination polymers constructed by
 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing
 different spacers
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              4357
_journal_paper_doi               10.1039/c3ce00034f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C40 H26 Cu4 N20 O29, 2H2O'
_chemical_formula_sum            'C40 H30 Cu4 N20 O31'
_chemical_formula_weight         1540.97
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.541(5)
_cell_angle_beta                 112.786(6)
_cell_angle_gamma                107.054(5)
_cell_formula_units_Z            2
_cell_length_a                   14.4399(8)
_cell_length_b                   14.5184(8)
_cell_length_c                   15.3895(10)
_cell_measurement_reflns_used    6810
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2161
_cell_measurement_theta_min      2.8676
_cell_volume                     2731.8(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0660
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17730
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    1.654
_exptl_absorpt_correction_T_max  0.8262
_exptl_absorpt_correction_T_min  0.7777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.862
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         9972
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.862
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                6516
_reflns_number_total             9972
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce00034f.txt
_cod_data_source_block           Compound-1
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               7210043
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.24603(3) 0.86061(3) 0.77503(2) 0.03088(11) Uani 1 1 d . . .
Cu2 Cu 0.01576(3) 0.53921(3) 0.61219(2) 0.02969(11) Uani 1 1 d . . .
Cu3 Cu -0.08763(3) 0.60216(3) 0.83338(2) 0.02854(10) Uani 1 1 d . . .
Cu4 Cu -0.02824(3) 0.90655(3) 0.81527(3) 0.03037(11) Uani 1 1 d . . .
C1 C 0.4358(3) 0.8440(3) 0.7485(3) 0.0568(11) Uani 1 1 d . . .
H1 H 0.4678 0.8347 0.8103 0.068 Uiso 1 1 calc R . .
C2 C 0.3281(3) 0.8723(2) 0.6276(2) 0.0371(8) Uani 1 1 d . . .
H2 H 0.2710 0.8865 0.5851 0.045 Uiso 1 1 calc R . .
C3 C 0.4133(3) 0.8510(3) 0.5168(2) 0.0433(9) Uani 1 1 d . . .
H3A H 0.4889 0.8790 0.5304 0.052 Uiso 1 1 calc R . .
H3B H 0.3763 0.8893 0.4798 0.052 Uiso 1 1 calc R . .
C4 C 0.3634(3) 0.7432(2) 0.4570(3) 0.0429(9) Uani 1 1 d . . .
H4A H 0.3716 0.7394 0.3971 0.052 Uiso 1 1 calc R . .
H4B H 0.4017 0.7055 0.4938 0.052 Uiso 1 1 calc R . .
C5 C 0.0845(3) 0.6738(3) 0.3699(2) 0.0394(9) Uani 1 1 d . . .
H5 H 0.0192 0.6819 0.3382 0.047 Uiso 1 1 calc R . .
C6 C 0.1958(3) 0.6116(3) 0.4423(2) 0.0382(8) Uani 1 1 d . . .
H6 H 0.2282 0.5702 0.4723 0.046 Uiso 1 1 calc R . .
C7 C -0.2912(2) 0.5941(2) 0.8471(2) 0.0378(9) Uani 1 1 d . . .
H7 H -0.3285 0.5829 0.7797 0.045 Uiso 1 1 calc R . .
C8 C -0.1642(2) 0.6225(2) 0.9867(2) 0.0292(7) Uani 1 1 d . . .
H8 H -0.0972 0.6352 1.0385 0.035 Uiso 1 1 calc R . .
C9 C -0.2720(2) 0.6265(2) 1.0820(2) 0.0339(8) Uani 1 1 d . . .
H9A H -0.2131 0.6207 1.1363 0.041 Uiso 1 1 calc R . .
H9B H -0.3389 0.5735 1.0693 0.041 Uiso 1 1 calc R . .
C10 C -0.2791(2) 0.7272(2) 1.1088(2) 0.0334(8) Uani 1 1 d . . .
H10A H -0.3329 0.7357 1.0521 0.040 Uiso 1 1 calc R . .
H10B H -0.3020 0.7297 1.1603 0.040 Uiso 1 1 calc R . .
C11 C -0.0102(3) 0.8909(3) 1.2234(3) 0.0585(12) Uani 1 1 d . . .
H11 H 0.0629 0.9102 1.2659 0.070 Uiso 1 1 calc R . .
C12 C -0.1540(2) 0.8948(2) 1.1225(2) 0.0361(8) Uani 1 1 d . . .
H12 H -0.2055 0.9141 1.0792 0.043 Uiso 1 1 calc R . .
C13 C -0.0341(2) 0.7193(2) 0.5171(2) 0.0309(8) Uani 1 1 d . . .
C14 C -0.1059(2) 0.6186(2) 0.46441(19) 0.0274(7) Uani 1 1 d . . .
C15 C -0.2032(2) 0.6064(2) 0.3818(2) 0.0327(8) Uani 1 1 d . . .
C16 C -0.2273(2) 0.6858(3) 0.3536(2) 0.0372(9) Uani 1 1 d . . .
H16 H -0.2925 0.6748 0.3003 0.045 Uiso 1 1 calc R . .
C17 C -0.1540(3) 0.7813(3) 0.4053(2) 0.0395(9) Uani 1 1 d . . .
C18 C -0.0580(2) 0.7996(2) 0.4865(2) 0.0366(8) Uani 1 1 d . . .
H18 H -0.0094 0.8651 0.5207 0.044 Uiso 1 1 calc R . .
C19 C 0.0703(2) 0.7458(2) 0.6063(2) 0.0289(7) Uani 1 1 d . . .
C20 C 0.1575(2) 0.5970(2) 0.9107(2) 0.0255(7) Uani 1 1 d . . .
C21 C 0.1145(2) 0.6083(2) 0.9786(2) 0.0266(7) Uani 1 1 d . . .
C22 C 0.1875(2) 0.6269(2) 1.0793(2) 0.0276(7) Uani 1 1 d . A .
C23 C 0.2943(2) 0.6363(2) 1.1104(2) 0.0307(8) Uani 1 1 d . . .
H23 H 0.3399 0.6487 1.1765 0.037 Uiso 1 1 calc R . .
C24 C 0.3313(2) 0.6268(2) 1.0415(2) 0.0293(7) Uani 1 1 d . . .
C25 C 0.2651(2) 0.6064(2) 0.9426(2) 0.0286(7) Uani 1 1 d . . .
H25 H 0.2922 0.5990 0.8974 0.034 Uiso 1 1 calc R . .
C26 C 0.0896(2) 0.5749(2) 0.8031(2) 0.0278(7) Uani 1 1 d . . .
C27 C -0.2370(2) 0.7242(2) 0.6259(2) 0.0253(7) Uani 1 1 d . . .
C28 C -0.2157(2) 0.8262(2) 0.6235(2) 0.0296(7) Uani 1 1 d . . .
C29 C -0.2910(2) 0.8400(2) 0.5375(2) 0.0327(8) Uani 1 1 d . . .
C30 C -0.3789(2) 0.7629(2) 0.4641(2) 0.0345(8) Uani 1 1 d . . .
H30 H -0.4273 0.7756 0.4108 0.041 Uiso 1 1 calc R . .
C31 C -0.3948(2) 0.6667(2) 0.4701(2) 0.0330(8) Uani 1 1 d . . .
C32 C -0.3250(2) 0.6462(2) 0.5495(2) 0.0292(7) Uani 1 1 d . . .
H32 H -0.3370 0.5802 0.5517 0.035 Uiso 1 1 calc R . .
C33 C -0.1693(2) 0.6971(2) 0.7113(2) 0.0267(7) Uani 1 1 d . . .
C34 C 0.2642(2) 0.8884(2) 0.9974(2) 0.0262(7) Uani 1 1 d . . .
C35 C 0.3533(2) 0.8802(2) 0.9814(2) 0.0286(7) Uani 1 1 d . . .
C36 C 0.4454(2) 0.8874(2) 1.0685(2) 0.0307(8) Uani 1 1 d . B .
C37 C 0.4470(2) 0.8962(2) 1.1586(2) 0.0365(8) Uani 1 1 d . . .
H37 H 0.5078 0.8993 1.2126 0.044 Uiso 1 1 calc R . .
C38 C 0.3584(3) 0.9005(3) 1.1682(2) 0.0394(9) Uani 1 1 d . . .
C39 C 0.2675(2) 0.8978(2) 1.0888(2) 0.0358(8) Uani 1 1 d . . .
H39 H 0.2086 0.9024 1.0974 0.043 Uiso 1 1 calc R . .
C40 C 0.1650(2) 0.8883(2) 0.9162(2) 0.0280(7) Uani 1 1 d . . .
N1 N 0.3435(2) 0.8627(2) 0.71578(18) 0.0358(7) Uani 1 1 d . . .
N2 N 0.4760(2) 0.8401(3) 0.6863(2) 0.0574(9) Uani 1 1 d . . .
N3 N 0.4055(2) 0.8589(2) 0.60843(19) 0.0394(7) Uani 1 1 d . . .
N4 N 0.2481(2) 0.6976(2) 0.43197(18) 0.0353(7) Uani 1 1 d . . .
N5 N 0.1775(3) 0.7394(2) 0.3852(2) 0.0463(8) Uani 1 1 d . . .
N6 N 0.0904(2) 0.59303(19) 0.40378(17) 0.0335(6) Uani 1 1 d . . .
N7 N -0.18403(18) 0.60885(18) 0.89368(17) 0.0280(6) Uani 1 1 d . . .
N8 N -0.3366(2) 0.5971(2) 0.9053(2) 0.0437(8) Uani 1 1 d . . .
N9 N -0.25384(18) 0.61533(18) 0.99538(17) 0.0296(6) Uani 1 1 d . . .
N10 N -0.17475(18) 0.80875(19) 1.14240(18) 0.0316(6) Uani 1 1 d . . .
N11 N -0.0822(2) 0.8035(2) 1.2087(2) 0.0556(9) Uani 1 1 d . . .
N12 N -0.04903(19) 0.95116(18) 1.17269(19) 0.0370(7) Uani 1 1 d . . .
N13 N -0.2849(2) 0.5065(2) 0.3220(2) 0.0442(8) Uani 1 1 d . . .
N14 N -0.1768(3) 0.8660(3) 0.3733(2) 0.0572(10) Uani 1 1 d . . .
N15 N 0.1486(2) 0.6325(2) 1.15304(18) 0.0395(7) Uani 1 1 d . . .
N16 N 0.4441(2) 0.6369(2) 1.0741(2) 0.0408(7) Uani 1 1 d . . .
N17 N -0.2758(3) 0.9402(2) 0.5251(2) 0.0482(8) Uani 1 1 d . . .
N18 N -0.4881(2) 0.5837(2) 0.39233(19) 0.0446(8) Uani 1 1 d . . .
N19 N 0.5451(2) 0.8867(2) 1.0630(2) 0.0459(8) Uani 1 1 d . . .
N20 N 0.3580(3) 0.9089(3) 1.2637(2) 0.0668(11) Uani 1 1 d . . .
O1 O 0.12814(16) 0.83766(16) 0.64670(14) 0.0346(5) Uani 1 1 d . . .
O2 O 0.09991(15) 0.67966(15) 0.64151(14) 0.0347(5) Uani 1 1 d . . .
O3 O -0.08552(15) 0.54042(15) 0.48517(13) 0.0308(5) Uani 1 1 d . . .
O4 O -0.2989(2) 0.4394(2) 0.3601(2) 0.0745(9) Uani 1 1 d . . .
O5 O -0.33584(19) 0.4953(2) 0.23433(17) 0.0627(8) Uani 1 1 d . . .
O6 O -0.2707(2) 0.8512(2) 0.31907(19) 0.0741(9) Uani 1 1 d . . .
O7 O -0.1014(3) 0.9458(2) 0.4011(2) 0.1015(13) Uani 1 1 d . . .
O8 O 0.12066(15) 0.54215(15) 0.74409(13) 0.0315(5) Uani 1 1 d . . .
O9 O 0.00157(16) 0.59010(16) 0.77116(14) 0.0349(5) Uani 1 1 d . . .
O10 O 0.01586(15) 0.59977(17) 0.95518(14) 0.0369(6) Uani 1 1 d . . .
O11 O 0.126(5) 0.711(3) 1.155(3) 0.041(10) Uani 0.13(4) 1 d PU A 1
O11' O 0.0809(13) 0.6685(16) 1.1463(3) 0.077(4) Uani 0.87(4) 1 d P A 2
O12 O 0.18300(19) 0.59494(18) 1.22004(16) 0.0497(6) Uani 1 1 d . A .
O13 O 0.50575(17) 0.6713(2) 1.16200(18) 0.0663(8) Uani 1 1 d . . .
O14 O 0.47108(17) 0.6090(2) 1.01290(19) 0.0621(8) Uani 1 1 d . . .
O15 O -0.19303(15) 0.60580(15) 0.70730(13) 0.0309(5) Uani 1 1 d . . .
O16 O -0.09048(15) 0.76255(14) 0.78684(13) 0.0309(5) Uani 1 1 d . . .
O17 O -0.13795(16) 0.90237(15) 0.69202(15) 0.0412(6) Uani 1 1 d . . .
O18 O -0.1842(2) 1.0004(2) 0.5517(2) 0.0858(11) Uani 1 1 d . . .
O19 O -0.3552(2) 0.9580(2) 0.4839(2) 0.0787(10) Uani 1 1 d . . .
O20 O -0.55758(19) 0.6039(2) 0.33137(18) 0.0710(9) Uani 1 1 d . . .
O21 O -0.4933(2) 0.4984(2) 0.39161(19) 0.0727(9) Uani 1 1 d . . .
O23 O 0.15034(15) 0.87116(17) 0.82859(14) 0.0374(6) Uani 1 1 d . . .
O22 O 0.09567(15) 0.90889(15) 0.93733(14) 0.0326(5) Uani 1 1 d . . .
O24 O 0.35634(16) 0.87122(18) 0.89948(15) 0.0416(6) Uani 1 1 d . . .
O25 O 0.5571(11) 0.886(4) 0.9892(10) 0.052(7) Uani 0.38(6) 1 d P B 1
O25' O 0.530(2) 0.828(3) 0.9890(7) 0.079(8) Uani 0.62(6) 1 d P B 2
O26 O 0.62952(19) 0.9231(2) 1.1379(2) 0.0699(9) Uani 1 1 d . B .
O27 O 0.4293(2) 0.8958(3) 1.32778(19) 0.0927(11) Uani 1 1 d . . .
O28 O 0.2910(10) 0.9436(7) 1.2760(7) 0.080(3) Uani 0.70 1 d P . .
O28' O 0.277(3) 0.8858(18) 1.269(2) 0.119(10) Uani 0.30 1 d P . .
O1W O -0.11281(18) 0.9324(2) 0.90739(18) 0.0659(8) Uani 1 1 d D . .
H1B H -0.1820 0.8962 0.8761 0.099 Uiso 1 1 d RD . .
H1A H -0.1001 0.9877 0.9422 0.099 Uiso 1 1 d RD . .
O2W O -0.3262(3) 0.8119(3) 0.8067(4) 0.160(2) Uani 1 1 d . . .
O3W O -0.4823(6) 0.6899(5) 0.8227(7) 0.295(4) 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
O23 Cu1 O24 92.32(9) . .
O23 Cu1 N1 173.85(11) . .
O24 Cu1 N1 90.75(10) . .
O23 Cu1 O1 87.26(8) . .
O24 Cu1 O1 175.15(10) . .
N1 Cu1 O1 90.13(10) . .
O2 Cu2 O3 90.88(8) . .
O2 Cu2 N6 166.22(10) . 2_566
O3 Cu2 N6 88.79(9) . 2_566
O2 Cu2 O8 87.66(8) . .
O3 Cu2 O8 178.35(9) . .
N6 Cu2 O8 92.44(9) 2_566 .
O10 Cu3 O9 91.83(8) . .
O10 Cu3 N7 89.19(9) . .
O9 Cu3 N7 177.53(10) . .
O10 Cu3 O15 179.26(10) . .
O9 Cu3 O15 87.62(8) . .
N7 Cu3 O15 91.37(9) . .
O17 Cu4 O16 90.92(8) . .
O17 Cu4 N12 87.23(9) . 2_577
O16 Cu4 N12 168.55(10) . 2_577
O17 Cu4 O22 174.19(10) . .
O16 Cu4 O22 88.83(8) . .
N12 Cu4 O22 91.87(9) 2_577 .
O17 Cu4 O1W 97.24(10) . .
O16 Cu4 O1W 93.40(10) . .
N12 Cu4 O1W 98.04(11) 2_577 .
O22 Cu4 O1W 88.57(9) . .
N2 C1 N1 114.3(3) . .
N2 C1 H1 122.9 . .
N1 C1 H1 122.9 . .
N3 C2 N1 110.0(3) . .
N3 C2 H2 125.0 . .
N1 C2 H2 125.0 . .
N3 C3 C4 110.6(3) . .
N3 C3 H3A 109.5 . .
C4 C3 H3A 109.5 . .
N3 C3 H3B 109.5 . .
C4 C3 H3B 109.5 . .
H3A C3 H3B 108.1 . .
N4 C4 C3 112.0(3) . .
N4 C4 H4A 109.2 . .
C3 C4 H4A 109.2 . .
N4 C4 H4B 109.2 . .
C3 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
N5 C5 N6 115.0(3) . .
N5 C5 H5 122.5 . .
N6 C5 H5 122.5 . .
N4 C6 N6 110.1(3) . .
N4 C6 H6 124.9 . .
N6 C6 H6 124.9 . .
N8 C7 N7 114.2(3) . .
N8 C7 H7 122.9 . .
N7 C7 H7 122.9 . .
N7 C8 N9 110.1(2) . .
N7 C8 H8 125.0 . .
N9 C8 H8 125.0 . .
N9 C9 C10 110.3(3) . .
N9 C9 H9A 109.6 . .
C10 C9 H9A 109.6 . .
N9 C9 H9B 109.6 . .
C10 C9 H9B 109.6 . .
H9A C9 H9B 108.1 . .
N10 C10 C9 111.2(2) . .
N10 C10 H10A 109.4 . .
C9 C10 H10A 109.4 . .
N10 C10 H10B 109.4 . .
C9 C10 H10B 109.4 . .
H10A C10 H10B 108.0 . .
N11 C11 N12 115.5(3) . .
N11 C11 H11 122.2 . .
N12 C11 H11 122.2 . .
N10 C12 N12 110.6(3) . .
N10 C12 H12 124.7 . .
N12 C12 H12 124.7 . .
C18 C13 C14 121.0(2) . .
C18 C13 C19 116.3(3) . .
C14 C13 C19 122.8(3) . .
O3 C14 C13 124.1(2) . .
O3 C14 C15 120.2(3) . .
C13 C14 C15 115.6(3) . .
C16 C15 C14 123.0(3) . .
C16 C15 N13 115.8(3) . .
C14 C15 N13 121.1(3) . .
C17 C16 C15 119.0(3) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C16 C17 C18 121.5(3) . .
C16 C17 N14 119.4(3) . .
C18 C17 N14 119.1(3) . .
C17 C18 C13 119.8(3) . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
O1 C19 O2 120.7(2) . .
O1 C19 C13 117.3(3) . .
O2 C19 C13 122.0(3) . .
C25 C20 C21 120.9(2) . .
C25 C20 C26 117.6(3) . .
C21 C20 C26 121.5(2) . .
O10 C21 C20 124.8(2) . .
O10 C21 C22 119.3(3) . .
C20 C21 C22 115.8(2) . .
C23 C22 C21 122.9(3) . .
C23 C22 N15 117.5(2) . .
C21 C22 N15 119.6(2) . .
C24 C23 C22 118.4(3) . .
C24 C23 H23 120.8 . .
C22 C23 H23 120.8 . .
C23 C24 C25 122.1(3) . .
C23 C24 N16 118.6(3) . .
C25 C24 N16 119.3(3) . .
C24 C25 C20 119.8(3) . .
C24 C25 H25 120.1 . .
C20 C25 H25 120.1 . .
O8 C26 O9 120.1(3) . .
O8 C26 C20 119.5(2) . .
O9 C26 C20 120.4(3) . .
C32 C27 C28 121.1(2) . .
C32 C27 C33 117.1(3) . .
C28 C27 C33 121.8(2) . .
O17 C28 C27 124.9(2) . .
O17 C28 C29 120.1(3) . .
C27 C28 C29 115.0(3) . .
C30 C29 C28 123.3(3) . .
C30 C29 N17 116.6(3) . .
C28 C29 N17 120.1(3) . .
C29 C30 C31 119.0(3) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
C30 C31 C32 121.5(3) . .
C30 C31 N18 119.6(3) . .
C32 C31 N18 118.9(3) . .
C31 C32 C27 120.0(3) . .
C31 C32 H32 120.0 . .
C27 C32 H32 120.0 . .
O15 C33 O16 119.9(2) . .
O15 C33 C27 117.8(2) . .
O16 C33 C27 122.3(3) . .
C39 C34 C35 121.2(2) . .
C39 C34 C40 117.3(3) . .
C35 C34 C40 121.5(3) . .
O24 C35 C34 124.9(2) . .
O24 C35 C36 120.5(3) . .
C34 C35 C36 114.5(3) . .
C37 C36 C35 123.4(3) . .
C37 C36 N19 116.8(2) . .
C35 C36 N19 119.8(3) . .
C38 C37 C36 119.1(3) . .
C38 C37 H37 120.5 . .
C36 C37 H37 120.5 . .
C37 C38 C39 121.3(3) . .
C37 C38 N20 119.9(3) . .
C39 C38 N20 118.8(3) . .
C34 C39 C38 120.4(3) . .
C34 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
O23 C40 O22 119.7(2) . .
O23 C40 C34 121.9(3) . .
O22 C40 C34 118.4(3) . .
C2 N1 C1 103.1(3) . .
C2 N1 Cu1 127.2(2) . .
C1 N1 Cu1 129.3(2) . .
C1 N2 N3 102.9(3) . .
C2 N3 N2 109.7(3) . .
C2 N3 C3 128.5(3) . .
N2 N3 C3 121.4(3) . .
C6 N4 N5 110.3(3) . .
C6 N4 C4 128.5(3) . .
N5 N4 C4 121.0(3) . .
C5 N5 N4 102.2(3) . .
C6 N6 C5 102.4(3) . .
C6 N6 Cu2 121.2(2) . 2_566
C5 N6 Cu2 135.5(2) . 2_566
C8 N7 C7 103.1(3) . .
C8 N7 Cu3 129.38(19) . .
C7 N7 Cu3 127.4(2) . .
C7 N8 N9 103.1(2) . .
C8 N9 N8 109.5(3) . .
C8 N9 C9 130.5(2) . .
N8 N9 C9 120.0(2) . .
C12 N10 N11 110.5(3) . .
C12 N10 C10 129.1(3) . .
N11 N10 C10 120.3(3) . .
C11 N11 N10 101.4(3) . .
C12 N12 C11 102.0(3) . .
C12 N12 Cu4 129.3(2) . 2_577
C11 N12 Cu4 128.3(2) . 2_577
O4 N13 O5 122.9(3) . .
O4 N13 C15 119.7(3) . .
O5 N13 C15 117.4(3) . .
O7 N14 O6 124.4(3) . .
O7 N14 C17 118.3(3) . .
O6 N14 C17 117.3(3) . .
O11' N15 O12 121.3(6) . .
O11' N15 O11 32.6(16) . .
O12 N15 O11 129.2(16) . .
O11' N15 C22 121.3(6) . .
O12 N15 C22 117.3(2) . .
O11 N15 C22 105.6(17) . .
O14 N16 O13 123.7(3) . .
O14 N16 C24 118.3(3) . .
O13 N16 C24 118.0(3) . .
O19 N17 O18 122.7(3) . .
O19 N17 C29 117.8(3) . .
O18 N17 C29 119.4(3) . .
O21 N18 O20 123.5(3) . .
O21 N18 C31 118.9(3) . .
O20 N18 C31 117.7(3) . .
O26 N19 O25 113.6(8) . .
O26 N19 O25' 124.7(7) . .
O25 N19 O25' 39.1(5) . .
O26 N19 C36 117.8(3) . .
O25 N19 C36 123.5(9) . .
O25' N19 C36 114.9(13) . .
O28' N20 O27 113.7(13) . .
O28' N20 O28 37.2(12) . .
O27 N20 O28 124.8(5) . .
O28' N20 C38 120.6(14) . .
O27 N20 C38 117.9(4) . .
O28 N20 C38 116.5(5) . .
C19 O1 Cu1 112.09(18) . .
C19 O2 Cu2 128.76(19) . .
C14 O3 Cu2 125.03(18) . .
C26 O8 Cu2 105.41(16) . .
C26 O9 Cu3 130.09(19) . .
C21 O10 Cu3 127.35(19) . .
C33 O15 Cu3 105.20(17) . .
C33 O16 Cu4 130.88(19) . .
C28 O17 Cu4 129.14(19) . .
C40 O23 Cu1 130.52(18) . .
C40 O22 Cu4 110.35(18) . .
C35 O24 Cu1 128.29(18) . .
O28' O28 N20 63(3) . .
O28 O28' N20 79(3) . .
Cu4 O1W H1B 111.0 . .
Cu4 O1W H1A 125.1 . .
H1B O1W H1A 112.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O23 1.893(2) .
Cu1 O24 1.9091(19) .
Cu1 N1 1.947(3) .
Cu1 O1 1.9493(18) .
Cu2 O2 1.928(2) .
Cu2 O3 1.9416(17) .
Cu2 N6 1.989(3) 2_566
Cu2 O8 1.9936(17) .
Cu3 O10 1.9041(18) .
Cu3 O9 1.911(2) .
Cu3 N7 1.966(2) .
Cu3 O15 1.9674(17) .
Cu4 O17 1.9227(18) .
Cu4 O16 1.930(2) .
Cu4 N12 1.983(3) 2_577
Cu4 O22 2.0188(18) .
Cu4 O1W 2.261(2) .
C1 N2 1.302(5) .
C1 N1 1.354(4) .
C1 H1 0.9300 .
C2 N3 1.320(4) .
C2 N1 1.321(4) .
C2 H2 0.9300 .
C3 N3 1.450(4) .
C3 C4 1.505(4) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N4 1.465(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 N5 1.310(4) .
C5 N6 1.356(4) .
C5 H5 0.9300 .
C6 N4 1.322(4) .
C6 N6 1.326(4) .
C6 H6 0.9300 .
C7 N8 1.303(4) .
C7 N7 1.364(3) .
C7 H7 0.9300 .
C8 N7 1.321(4) .
C8 N9 1.328(4) .
C8 H8 0.9300 .
C9 N9 1.453(4) .
C9 C10 1.510(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N10 1.459(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N11 1.309(4) .
C11 N12 1.347(4) .
C11 H11 0.9300 .
C12 N10 1.302(4) .
C12 N12 1.328(4) .
C12 H12 0.9300 .
C13 C18 1.397(4) .
C13 C14 1.421(4) .
C13 C19 1.492(4) .
C14 O3 1.303(3) .
C14 C15 1.426(4) .
C15 C16 1.373(4) .
C15 N13 1.465(4) .
C16 C17 1.369(5) .
C16 H16 0.9300 .
C17 C18 1.382(4) .
C17 N14 1.461(4) .
C18 H18 0.9300 .
C19 O1 1.261(4) .
C19 O2 1.263(3) .
C20 C25 1.393(4) .
C20 C21 1.421(4) .
C20 C26 1.492(4) .
C21 O10 1.289(3) .
C21 C22 1.429(4) .
C22 C23 1.383(4) .
C22 N15 1.452(4) .
C23 C24 1.367(4) .
C23 H23 0.9300 .
C24 C25 1.382(4) .
C24 N16 1.461(4) .
C25 H25 0.9300 .
C26 O8 1.257(3) .
C26 O9 1.271(3) .
C27 C32 1.389(4) .
C27 C28 1.430(4) .
C27 C33 1.484(4) .
C28 O17 1.282(3) .
C28 C29 1.435(4) .
C29 C30 1.365(4) .
C29 N17 1.454(4) .
C30 C31 1.370(4) .
C30 H30 0.9300 .
C31 C32 1.384(4) .
C31 N18 1.456(4) .
C32 H32 0.9300 .
C33 O15 1.255(3) .
C33 O16 1.265(3) .
C34 C39 1.375(4) .
C34 C35 1.434(4) .
C34 C40 1.493(4) .
C35 O24 1.269(4) .
C35 C36 1.442(4) .
C36 C37 1.366(4) .
C36 N19 1.478(4) .
C37 C38 1.362(4) .
C37 H37 0.9300 .
C38 C39 1.391(4) .
C38 N20 1.459(5) .
C39 H39 0.9300 .
C40 O23 1.258(3) .
C40 O22 1.265(3) .
N2 N3 1.360(4) .
N4 N5 1.354(3) .
N6 Cu2 1.989(3) 2_566
N8 N9 1.362(3) .
N10 N11 1.362(3) .
N12 Cu4 1.983(3) 2_577
N13 O4 1.208(4) .
N13 O5 1.221(3) .
N14 O7 1.217(4) .
N14 O6 1.220(3) .
N15 O11' 1.214(5) .
N15 O12 1.232(3) .
N15 O11 1.27(3) .
N16 O14 1.216(3) .
N16 O13 1.225(3) .
N17 O19 1.199(3) .
N17 O18 1.220(4) .
N18 O21 1.217(3) .
N18 O20 1.220(3) .
N19 O26 1.211(3) .
N19 O25 1.212(15) .
N19 O25' 1.231(14) .
N20 O28' 1.16(3) .
N20 O27 1.203(4) .
N20 O28 1.277(11) .
O28 O28' 0.79(3) .
O1W H1B 0.8715 .
O1W H1A 0.8307 .
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_4
N3 C3 C4 N4 60.7(4) . .
N9 C9 C10 N10 -67.7(3) . .
C18 C13 C14 O3 175.5(3) . .
C19 C13 C14 O3 -3.9(5) . .
C18 C13 C14 C15 -1.8(4) . .
C19 C13 C14 C15 178.9(3) . .
O3 C14 C15 C16 -177.2(3) . .
C13 C14 C15 C16 0.1(5) . .
O3 C14 C15 N13 3.5(5) . .
C13 C14 C15 N13 -179.2(3) . .
C14 C15 C16 C17 1.6(5) . .
N13 C15 C16 C17 -179.0(3) . .
C15 C16 C17 C18 -1.8(5) . .
C15 C16 C17 N14 177.3(3) . .
C16 C17 C18 C13 0.2(5) . .
N14 C17 C18 C13 -178.9(3) . .
C14 C13 C18 C17 1.6(5) . .
C19 C13 C18 C17 -179.0(3) . .
C18 C13 C19 O1 0.0(4) . .
C14 C13 C19 O1 179.4(3) . .
C18 C13 C19 O2 179.2(3) . .
C14 C13 C19 O2 -1.5(5) . .
C25 C20 C21 O10 -179.3(3) . .
C26 C20 C21 O10 0.8(5) . .
C25 C20 C21 C22 -1.5(4) . .
C26 C20 C21 C22 178.5(3) . .
O10 C21 C22 C23 179.5(3) . .
C20 C21 C22 C23 1.7(4) . .
O10 C21 C22 N15 2.1(4) . .
C20 C21 C22 N15 -175.8(3) . .
C21 C22 C23 C24 -0.3(4) . .
N15 C22 C23 C24 177.2(3) . .
C22 C23 C24 C25 -1.3(5) . .
C22 C23 C24 N16 179.9(3) . .
C23 C24 C25 C20 1.4(4) . .
N16 C24 C25 C20 -179.8(3) . .
C21 C20 C25 C24 0.1(4) . .
C26 C20 C25 C24 -180.0(3) . .
C25 C20 C26 O8 17.0(4) . .
C21 C20 C26 O8 -163.1(3) . .
C25 C20 C26 O9 -162.2(3) . .
C21 C20 C26 O9 17.7(4) . .
C32 C27 C28 O17 178.2(3) . .
C33 C27 C28 O17 0.6(5) . .
C32 C27 C28 C29 -0.2(4) . .
C33 C27 C28 C29 -177.7(3) . .
O17 C28 C29 C30 -176.4(3) . .
C27 C28 C29 C30 2.0(5) . .
O17 C28 C29 N17 3.6(5) . .
C27 C28 C29 N17 -178.0(3) . .
C28 C29 C30 C31 -2.6(5) . .
N17 C29 C30 C31 177.4(3) . .
C29 C30 C31 C32 1.2(5) . .
C29 C30 C31 N18 -179.9(3) . .
C30 C31 C32 C27 0.6(5) . .
N18 C31 C32 C27 -178.3(3) . .
C28 C27 C32 C31 -1.1(5) . .
C33 C27 C32 C31 176.6(3) . .
C32 C27 C33 O15 2.8(4) . .
C28 C27 C33 O15 -179.5(3) . .
C32 C27 C33 O16 -176.5(3) . .
C28 C27 C33 O16 1.2(4) . .
C39 C34 C35 O24 179.9(3) . .
C40 C34 C35 O24 -0.8(5) . .
C39 C34 C35 C36 -2.8(4) . .
C40 C34 C35 C36 176.5(3) . .
O24 C35 C36 C37 -179.4(3) . .
C34 C35 C36 C37 3.2(4) . .
O24 C35 C36 N19 1.4(4) . .
C34 C35 C36 N19 -176.0(3) . .
C35 C36 C37 C38 -1.3(5) . .
N19 C36 C37 C38 177.9(3) . .
C36 C37 C38 C39 -1.2(5) . .
C36 C37 C38 N20 179.4(3) . .
C35 C34 C39 C38 0.6(5) . .
C40 C34 C39 C38 -178.7(3) . .
C37 C38 C39 C34 1.5(5) . .
N20 C38 C39 C34 -179.1(3) . .
C39 C34 C40 O23 -173.5(3) . .
C35 C34 C40 O23 7.2(4) . .
C39 C34 C40 O22 8.4(4) . .
C35 C34 C40 O22 -170.9(3) . .
N3 C2 N1 C1 0.7(4) . .
N3 C2 N1 Cu1 -172.8(2) . .
N2 C1 N1 C2 -1.0(4) . .
N2 C1 N1 Cu1 172.4(3) . .
O23 Cu1 N1 C2 -49.5(10) . .
O24 Cu1 N1 C2 -169.4(3) . .
O1 Cu1 N1 C2 15.4(3) . .
O23 Cu1 N1 C1 138.7(8) . .
O24 Cu1 N1 C1 18.7(3) . .
O1 Cu1 N1 C1 -156.5(3) . .
N1 C1 N2 N3 0.8(4) . .
N1 C2 N3 N2 -0.3(4) . .
N1 C2 N3 C3 172.0(3) . .
C1 N2 N3 C2 -0.3(4) . .
C1 N2 N3 C3 -173.3(3) . .
C4 C3 N3 C2 -91.6(4) . .
C4 C3 N3 N2 79.9(4) . .
N6 C6 N4 N5 -0.1(4) . .
N6 C6 N4 C4 -175.0(3) . .
C3 C4 N4 C6 -130.4(3) . .
C3 C4 N4 N5 55.2(4) . .
N6 C5 N5 N4 0.1(4) . .
C6 N4 N5 C5 0.0(3) . .
C4 N4 N5 C5 175.3(3) . .
N4 C6 N6 C5 0.2(3) . .
N4 C6 N6 Cu2 170.6(2) . 2_566
N5 C5 N6 C6 -0.2(4) . .
N5 C5 N6 Cu2 -168.5(2) . 2_566
N9 C8 N7 C7 0.6(3) . .
N9 C8 N7 Cu3 -175.78(19) . .
N8 C7 N7 C8 -0.6(4) . .
N8 C7 N7 Cu3 175.9(2) . .
O10 Cu3 N7 C8 9.1(3) . .
O9 Cu3 N7 C8 124(2) . .
O15 Cu3 N7 C8 -170.4(3) . .
O10 Cu3 N7 C7 -166.5(3) . .
O9 Cu3 N7 C7 -52(2) . .
O15 Cu3 N7 C7 14.0(3) . .
N7 C7 N8 N9 0.3(4) . .
N7 C8 N9 N8 -0.5(3) . .
N7 C8 N9 C9 -178.6(3) . .
C7 N8 N9 C8 0.1(3) . .
C7 N8 N9 C9 178.5(3) . .
C10 C9 N9 C8 103.2(3) . .
C10 C9 N9 N8 -74.8(3) . .
N12 C12 N10 N11 0.2(4) . .
N12 C12 N10 C10 175.9(3) . .
C9 C10 N10 C12 138.2(3) . .
C9 C10 N10 N11 -46.4(4) . .
N12 C11 N11 N10 0.4(5) . .
C12 N10 N11 C11 -0.3(4) . .
C10 N10 N11 C11 -176.5(3) . .
N10 C12 N12 C11 0.1(4) . .
N10 C12 N12 Cu4 -172.4(2) . 2_577
N11 C11 N12 C12 -0.3(5) . .
N11 C11 N12 Cu4 172.3(3) . 2_577
C16 C15 N13 O4 -146.2(3) . .
C14 C15 N13 O4 33.2(5) . .
C16 C15 N13 O5 34.1(4) . .
C14 C15 N13 O5 -146.5(3) . .
C16 C17 N14 O7 -159.9(4) . .
C18 C17 N14 O7 19.2(5) . .
C16 C17 N14 O6 19.1(5) . .
C18 C17 N14 O6 -161.7(3) . .
C23 C22 N15 O11' 147.1(13) . .
C21 C22 N15 O11' -35.3(13) . .
C23 C22 N15 O12 -36.5(4) . .
C21 C22 N15 O12 141.1(3) . .
C23 C22 N15 O11 116(3) . .
C21 C22 N15 O11 -67(3) . .
C23 C24 N16 O14 165.5(3) . .
C25 C24 N16 O14 -13.4(4) . .
C23 C24 N16 O13 -13.2(4) . .
C25 C24 N16 O13 167.9(3) . .
C30 C29 N17 O19 33.9(5) . .
C28 C29 N17 O19 -146.1(3) . .
C30 C29 N17 O18 -142.2(4) . .
C28 C29 N17 O18 37.9(5) . .
C30 C31 N18 O21 170.1(3) . .
C32 C31 N18 O21 -11.0(5) . .
C30 C31 N18 O20 -10.5(5) . .
C32 C31 N18 O20 168.5(3) . .
C37 C36 N19 O26 -21.8(5) . .
C35 C36 N19 O26 157.4(3) . .
C37 C36 N19 O25 -175(3) . .
C35 C36 N19 O25 4(3) . .
C37 C36 N19 O25' 141(2) . .
C35 C36 N19 O25' -40(2) . .
C37 C38 N20 O28' -159.0(15) . .
C39 C38 N20 O28' 21.6(16) . .
C37 C38 N20 O27 -11.7(6) . .
C39 C38 N20 O27 168.8(4) . .
C37 C38 N20 O28 158.7(6) . .
C39 C38 N20 O28 -20.8(8) . .
O2 C19 O1 Cu1 -10.4(4) . .
C13 C19 O1 Cu1 168.8(2) . .
O23 Cu1 O1 C19 -90.4(2) . .
O24 Cu1 O1 C19 -5.3(12) . .
N1 Cu1 O1 C19 95.1(2) . .
O1 C19 O2 Cu2 165.7(2) . .
C13 C19 O2 Cu2 -13.5(4) . .
O3 Cu2 O2 C19 23.4(3) . .
N6 Cu2 O2 C19 -65.1(5) 2_566 .
O8 Cu2 O2 C19 -155.8(3) . .
C13 C14 O3 Cu2 22.8(4) . .
C15 C14 O3 Cu2 -160.1(2) . .
O2 Cu2 O3 C14 -27.3(2) . .
N6 Cu2 O3 C14 138.9(2) 2_566 .
O8 Cu2 O3 C14 1(3) . .
O9 C26 O8 Cu2 5.7(3) . .
C20 C26 O8 Cu2 -173.5(2) . .
O2 Cu2 O8 C26 82.9(2) . .
O3 Cu2 O8 C26 55(3) . .
N6 Cu2 O8 C26 -83.3(2) 2_566 .
O8 C26 O9 Cu3 160.3(2) . .
C20 C26 O9 Cu3 -20.5(4) . .
O10 Cu3 O9 C26 6.8(3) . .
N7 Cu3 O9 C26 -108(2) . .
O15 Cu3 O9 C26 -173.7(3) . .
C20 C21 O10 Cu3 -16.0(4) . .
C22 C21 O10 Cu3 166.3(2) . .
O9 Cu3 O10 C21 11.9(2) . .
N7 Cu3 O10 C21 -170.3(2) . .
O15 Cu3 O10 C21 -31(7) . .
O16 C33 O15 Cu3 0.4(3) . .
C27 C33 O15 Cu3 -178.9(2) . .
O10 Cu3 O15 C33 -49(7) . .
O9 Cu3 O15 C33 -92.32(19) . .
N7 Cu3 O15 C33 89.94(19) . .
O15 C33 O16 Cu4 176.91(19) . .
C27 C33 O16 Cu4 -3.8(4) . .
O17 Cu4 O16 C33 3.7(3) . .
N12 Cu4 O16 C33 -76.9(5) 2_577 .
O22 Cu4 O16 C33 -170.5(3) . .
O1W Cu4 O16 C33 101.0(3) . .
C27 C28 O17 Cu4 0.2(5) . .
C29 C28 O17 Cu4 178.5(2) . .
O16 Cu4 O17 C28 -1.7(3) . .
N12 Cu4 O17 C28 167.0(3) 2_577 .
O22 Cu4 O17 C28 85.7(10) . .
O1W Cu4 O17 C28 -95.3(3) . .
O22 C40 O23 Cu1 168.1(2) . .
C34 C40 O23 Cu1 -9.9(4) . .
O24 Cu1 O23 C40 5.7(3) . .
N1 Cu1 O23 C40 -114.1(8) . .
O1 Cu1 O23 C40 -179.1(3) . .
O23 C40 O22 Cu4 0.6(4) . .
C34 C40 O22 Cu4 178.8(2) . .
O17 Cu4 O22 C40 -6.0(10) . .
O16 Cu4 O22 C40 81.6(2) . .
N12 Cu4 O22 C40 -87.0(2) 2_577 .
O1W Cu4 O22 C40 175.0(2) . .
C34 C35 O24 Cu1 -2.8(5) . .
C36 C35 O24 Cu1 -179.9(2) . .
O23 Cu1 O24 C35 0.9(3) . .
N1 Cu1 O24 C35 175.6(3) . .
O1 Cu1 O24 C35 -84.0(11) . .
O27 N20 O28 O28' -84(3) . .
C38 N20 O28 O28' 107(3) . .
O27 N20 O28' O28 117(2) . .
C38 N20 O28' O28 -94(3) . .
