#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:26:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180262 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/48/7114876.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_7114876
loop_
_publ_author_name
'Zaman, Md. Badruz'
'Smith, Mark D.'
'zur Loye, Hans-Conrad'
_publ_section_title
;
 Two different one-dimensional structural motifs in the same coordination
 polymer: a novel interpenetration of infinite ladders by bundles of
 infinite chains
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2256
_journal_paper_doi               10.1039/b106190a
_journal_year                    2001
_chemical_formula_moiety
; 
[Cu(dpdaB)(MeOH)(NO3)2][Cu(dpdaB)1.5(NO3)2] 2(EtOH) 
;
_chemical_formula_sum            'C53 H42 Cu2 N9 O15'
_chemical_formula_weight         1172.04
_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                107.663(3)
_cell_angle_beta                 94.805(4)
_cell_angle_gamma                104.021(4)
_cell_formula_units_Z            2
_cell_length_a                   12.1363(18)
_cell_length_b                   13.738(2)
_cell_length_c                   17.563(3)
_cell_measurement_reflns_used    2484
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      22.633
_cell_measurement_theta_min      2.459
_cell_volume                     2667.6(7)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0846
_diffrn_reflns_av_sigmaI/netI    0.2154
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14780
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.874
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1202
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     719
_refine_ls_number_reflns         7669
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1232
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc 
[0.00000+1.00000exp(4.70(sinθ/λ)²)]/ 
[σ²(Fo²)+0.0000+0.0000*P+(0.0119P)²+0.0000sinθ/λ] 
where P = 0.33333Fo² + 0.66667Fc² 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                3403
_reflns_number_total             7669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106190a.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114876
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
C1 C 0.2322(6) 0.3441(6) 0.0993(4) 0.0386(19) Uani 1 1 d .
H1 H 0.2343 0.2885 0.0519 0.046 Uiso 1 1 calc R
C2 C 0.1604(5) 0.4071(6) 0.0935(4) 0.0381(19) Uani 1 1 d .
H2 H 0.1137 0.3939 0.0432 0.046 Uiso 1 1 calc R
C3 C 0.1574(5) 0.4891(5) 0.1614(4) 0.0301(17) Uani 1 1 d .
C4 C 0.2235(5) 0.5012(5) 0.2341(4) 0.0363(18) Uani 1 1 d .
H4 H 0.2209 0.5547 0.2826 0.044 Uiso 1 1 calc R
C5 C 0.2934(5) 0.4348(5) 0.2355(4) 0.0330(18) Uani 1 1 d .
H5 H 0.3386 0.4441 0.2854 0.040 Uiso 1 1 calc R
C6 C 0.0846(6) 0.5579(6) 0.1572(4) 0.041(2) Uani 1 1 d .
C7 C 0.0251(6) 0.6118(5) 0.1505(4) 0.0366(18) Uani 1 1 d .
C8 C -0.0466(6) 0.6796(6) 0.1431(4) 0.0339(18) Uani 1 1 d .
C9 C -0.1653(6) 0.6366(5) 0.1195(4) 0.0375(18) Uani 1 1 d .
H9 H -0.1988 0.5625 0.1075 0.045 Uiso 1 1 calc R
C10 C -0.2344(5) 0.7005(5) 0.1133(4) 0.0327(17) Uani 1 1 d .
H10 H -0.3151 0.6701 0.0956 0.039 Uiso 1 1 calc R
C11 C -0.1866(6) 0.8092(5) 0.1327(4) 0.0308(17) Uani 1 1 d .
C12 C -0.0681(6) 0.8522(6) 0.1560(4) 0.044(2) Uani 1 1 d .
H12 H -0.0344 0.9264 0.1681 0.053 Uiso 1 1 calc R
C13 C 0.0008(6) 0.7869(6) 0.1614(4) 0.042(2) Uani 1 1 d .
H13 H 0.0818 0.8168 0.1779 0.051 Uiso 1 1 calc R
C14 C -0.2564(6) 0.8796(6) 0.1307(4) 0.0357(18) Uani 1 1 d .
C15 C -0.3115(6) 0.9400(5) 0.1328(4) 0.0362(18) Uani 1 1 d .
C16 C -0.5474(6) 1.0618(5) 0.1054(4) 0.0383(19) Uani 1 1 d .
H16 H -0.6247 1.0400 0.0780 0.046 Uiso 1 1 calc R
C17 C -0.4897(6) 0.9854(6) 0.0976(4) 0.0402(19) Uani 1 1 d .
H17 H -0.5257 0.9135 0.0648 0.048 Uiso 1 1 calc R
C18 C -0.3770(6) 1.0162(5) 0.1392(4) 0.0329(18) Uani 1 1 d .
C19 C -0.3282(6) 1.1236(6) 0.1823(4) 0.042(2) Uani 1 1 d .
H19 H -0.2505 1.1482 0.2094 0.050 Uiso 1 1 calc R
C20 C -0.3915(5) 1.1936(6) 0.1859(4) 0.0391(19) Uani 1 1 d .
H20 H -0.3557 1.2666 0.2161 0.047 Uiso 1 1 calc R
C31 C 0.4291(6) 0.7632(5) 0.2874(4) 0.0355(18) Uani 1 1 d .
H31 H 0.4254 0.8068 0.3401 0.043 Uiso 1 1 calc R
C32 C 0.3639(5) 0.7682(5) 0.2225(4) 0.0341(18) Uani 1 1 d .
H32 H 0.3150 0.8136 0.2311 0.041 Uiso 1 1 calc R
C33 C 0.3679(5) 0.7077(5) 0.1442(4) 0.0301(17) Uani 1 1 d .
C34 C 0.4385(5) 0.6407(5) 0.1359(4) 0.0314(18) Uani 1 1 d .
H34 H 0.4439 0.5971 0.0836 0.038 Uiso 1 1 calc R
C35 C 0.5015(5) 0.6380(5) 0.2049(3) 0.0267(16) Uani 1 1 d .
H35 H 0.5483 0.5907 0.1982 0.032 Uiso 1 1 calc R
C36 C 0.3027(6) 0.7161(5) 0.0760(4) 0.0344(18) Uani 1 1 d .
C37 C 0.2472(6) 0.7292(6) 0.0228(4) 0.0368(18) Uani 1 1 d .
C38 C 0.1790(5) 0.7380(5) -0.0449(4) 0.0308(17) Uani 1 1 d .
C39 C 0.1257(5) 0.8190(6) -0.0345(4) 0.0390(19) Uani 1 1 d .
H39 H 0.1357 0.8711 0.0175 0.047 Uiso 1 1 calc R
C40 C 0.0579(6) 0.8233(6) -0.1004(4) 0.0367(18) Uani 1 1 d .
H40 H 0.0227 0.8793 -0.0938 0.044 Uiso 1 1 calc R
C41 C 0.0413(5) 0.7457(6) -0.1761(4) 0.0308(17) Uani 1 1 d .
C42 C 0.0937(5) 0.6654(5) -0.1857(4) 0.0296(17) Uani 1 1 d .
H42 H 0.0819 0.6123 -0.2374 0.036 Uiso 1 1 calc R
C43 C 0.1635(5) 0.6611(5) -0.1208(4) 0.0310(17) Uani 1 1 d .
H43 H 0.2004 0.6061 -0.1281 0.037 Uiso 1 1 calc R
C44 C -0.0309(5) 0.7468(6) -0.2450(4) 0.0334(18) Uani 1 1 d .
C45 C -0.0899(6) 0.7407(6) -0.3046(4) 0.0344(18) Uani 1 1 d .
C46 C -0.2180(7) 0.8140(6) -0.4712(4) 0.066(3) Uani 1 1 d .
H46 H -0.2093 0.8759 -0.4863 0.080 Uiso 1 1 calc R
C47 C -0.1501(7) 0.8221(6) -0.4018(4) 0.062(3) Uani 1 1 d .
H47 H -0.0962 0.8881 -0.3704 0.074 Uiso 1 1 calc R
C48 C -0.1603(6) 0.7346(6) -0.3780(4) 0.0344(18) Uani 1 1 d .
C49 C -0.2377(6) 0.6417(6) -0.4265(4) 0.045(2) Uani 1 1 d .
H49 H -0.2468 0.5785 -0.4133 0.054 Uiso 1 1 calc R
C50 C -0.3029(6) 0.6412(6) -0.4954(4) 0.043(2) Uani 1 1 d .
H50 H -0.3568 0.5759 -0.5283 0.051 Uiso 1 1 calc R
C51 C 0.6438(6) 0.9450(5) 0.4387(4) 0.0402(19) Uani 1 1 d .
H51 H 0.5877 0.9278 0.4707 0.048 Uiso 1 1 calc R
C52 C 0.6895(6) 1.0507(6) 0.4469(4) 0.047(2) Uani 1 1 d .
H52 H 0.6634 1.1044 0.4824 0.056 Uiso 1 1 calc R
C53 C 0.7745(6) 1.0776(6) 0.4022(4) 0.0398(19) Uani 1 1 d .
C54 C 0.8024(7) 0.9952(6) 0.3481(4) 0.052(2) Uani 1 1 d .
H54 H 0.8562 1.0100 0.3139 0.062 Uiso 1 1 calc R
C55 C 0.7527(6) 0.8906(5) 0.3428(4) 0.0369(18) Uani 1 1 d .
H55 H 0.7748 0.8349 0.3060 0.044 Uiso 1 1 calc R
C56 C 0.8338(6) 1.1879(6) 0.4174(4) 0.043(2) Uani 1 1 d .
C57 C 0.8820(7) 1.2799(6) 0.4401(4) 0.046(2) Uani 1 1 d .
C58 C 0.9423(6) 1.3919(5) 0.4695(4) 0.0406(19) Uani 1 1 d .
C59 C 0.9195(7) 1.4604(6) 0.4312(5) 0.055(2) Uani 1 1 d .
H59 H 0.8637 1.4331 0.3830 0.065 Uiso 1 1 calc R
C60 C 0.9752(7) 1.5669(6) 0.4610(4) 0.054(2) Uani 1 1 d .
H60 H 0.9573 1.6127 0.4338 0.04(2) Uiso 1 1 calc R
C1M C 0.5262(8) 0.3346(7) 0.3688(5) 0.075(3) Uani 1 1 d .
H1M1 H 0.4810 0.2615 0.3604 0.112 Uiso 1 1 calc R
H1M2 H 0.5076 0.3834 0.4162 0.112 Uiso 1 1 calc R
H1M3 H 0.6085 0.3399 0.3779 0.112 Uiso 1 1 calc R
Cu1 Cu 0.40657(7) 0.26992(7) 0.17135(5) 0.0309(2) Uani 1 1 d .
Cu2 Cu 0.60363(7) 0.71216(7) 0.37973(5) 0.0295(2) Uani 1 1 d .
N1 N 0.2987(4) 0.3583(4) 0.1686(3) 0.0283(13) Uani 1 1 d .
N2 N -0.5012(4) 1.1657(4) 0.1495(3) 0.0319(14) Uani 1 1 d .
N3 N 0.4993(4) 0.6985(4) 0.2799(3) 0.0257(13) Uani 1 1 d .
N4 N -0.2951(5) 0.7251(4) -0.5185(3) 0.0336(15) Uani 1 1 d .
N5 N 0.6744(5) 0.8665(4) 0.3884(3) 0.0304(14) Uani 1 1 d .
N11 N 0.5219(5) 0.3752(5) 0.0760(3) 0.0332(14) Uani 1 1 d .
N12 N 0.2179(6) 0.1061(5) 0.1640(5) 0.054(2) Uani 1 1 d .
N13 N 0.7359(6) 0.5732(6) 0.3051(3) 0.0414(17) Uani 1 1 d .
N14 N 0.4015(5) 0.6666(5) 0.4430(3) 0.0385(15) Uani 1 1 d .
O1 O 0.5295(4) 0.3789(3) 0.1509(2) 0.0311(11) Uani 1 1 d .
O2 O 0.4524(4) 0.2978(4) 0.0240(3) 0.0471(14) Uani 1 1 d .
O3 O 0.5847(4) 0.4496(4) 0.0612(3) 0.0475(14) Uani 1 1 d .
O4 O 0.3012(4) 0.1755(4) 0.2174(3) 0.0454(14) Uani 1 1 d .
O5 O 0.2058(5) 0.1089(5) 0.0941(4) 0.0679(19) Uani 1 1 d .
O6 O 0.1533(5) 0.0382(5) 0.1841(5) 0.096(2) Uani 1 1 d .
O7 O 0.6344(4) 0.5640(4) 0.3225(2) 0.0332(12) Uani 1 1 d .
O8 O 0.7939(5) 0.6617(5) 0.3104(3) 0.0654(17) Uani 1 1 d .
O9 O 0.7701(4) 0.4940(4) 0.2825(3) 0.0585(17) Uani 1 1 d .
O10 O 0.4574(4) 0.6060(4) 0.4071(3) 0.0453(14) Uani 1 1 d .
O11 O 0.4491(4) 0.7647(4) 0.4667(3) 0.0533(15) Uani 1 1 d .
O12 O 0.3043(5) 0.6305(5) 0.4534(3) 0.079(2) Uani 1 1 d .
O1M O 0.4994(4) 0.3619(4) 0.2997(3) 0.0374(12) Uani 1 1 d D
H1M H 0.555(5) 0.415(5) 0.295(5) 0.10(4) Uiso 1 1 d D
C1S C 0.3975(11) 0.0397(8) 0.3383(7) 0.130(5) Uani 1 1 d D
H1S1 H 0.3989 0.1147 0.3604 0.196 Uiso 1 1 calc R
H1S2 H 0.4286 0.0273 0.2876 0.196 Uiso 1 1 calc R
H1S3 H 0.4446 0.0221 0.3775 0.196 Uiso 1 1 calc R
O1S O 0.2869(11) -0.0231(8) 0.3236(8) 0.293(10) Uani 1 1 d D
H1S H 0.2517 -0.0071 0.2873 0.440 Uiso 1 1 d R
O2S O 0.9378(12) 0.0879(11) 0.5837(9) 0.389(13) Uani 1 1 d D
H2S H 0.9030 0.0462 0.6060 0.583 Uiso 1 1 calc R
C2S C 0.9299(11) 0.1887(10) 0.6218(8) 0.217(11) Uani 1 1 d D
H2S1 H 0.9962 0.2277 0.6654 0.326 Uiso 1 1 calc R
H2S2 H 0.8586 0.1841 0.6446 0.326 Uiso 1 1 calc R
H2S3 H 0.9291 0.2262 0.5824 0.326 Uiso 1 1 calc R
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 C2 122.8(6) . .
C3 C2 C1 119.3(6) . .
C2 C3 C4 117.7(6) . .
C2 C3 C6 120.8(6) . .
C4 C3 C6 121.5(6) . .
C3 C4 C5 119.8(6) . .
N1 C5 C4 121.8(6) . .
C7 C6 C3 177.4(8) . .
C6 C7 C8 179.0(8) . .
C13 C8 C9 119.3(7) . .
C13 C8 C7 120.6(6) . .
C9 C8 C7 120.0(7) . .
C10 C9 C8 120.5(7) . .
C9 C10 C11 120.1(6) . .
C10 C11 C12 119.4(6) . .
C10 C11 C14 121.9(6) . .
C12 C11 C14 118.6(6) . .
C13 C12 C11 119.9(7) . .
C8 C13 C12 120.6(7) . .
C15 C14 C11 176.8(7) . .
C14 C15 C18 177.5(8) . .
N2 C16 C17 124.2(6) . .
C16 C17 C18 118.4(6) . .
C19 C18 C17 117.3(6) . .
C19 C18 C15 121.5(6) . .
C17 C18 C15 121.1(6) . .
C20 C19 C18 120.1(6) . .
N2 C20 C19 123.8(7) . .
N3 C31 C32 122.8(6) . .
C31 C32 C33 120.9(6) . .
C32 C33 C34 116.8(6) . .
C32 C33 C36 120.8(6) . .
C34 C33 C36 122.4(6) . .
C33 C34 C35 119.4(6) . .
N3 C35 C34 123.3(6) . .
C37 C36 C33 175.4(7) . .
C36 C37 C38 176.2(8) . .
C43 C38 C39 120.2(6) . .
C43 C38 C37 118.7(6) . .
C39 C38 C37 121.0(6) . .
C40 C39 C38 119.6(6) . .
C39 C40 C41 120.2(7) . .
C42 C41 C40 119.8(6) . .
C42 C41 C44 118.9(6) . .
C40 C41 C44 121.3(6) . .
C41 C42 C43 120.8(6) . .
C42 C43 C38 119.4(6) . .
C45 C44 C41 175.3(8) . .
C44 C45 C48 178.9(9) . .
N4 C46 C47 124.0(8) . .
C48 C47 C46 119.7(7) . .
C49 C48 C47 117.3(6) . .
C49 C48 C45 121.7(7) . .
C47 C48 C45 121.0(6) . .
C48 C49 C50 119.0(7) . .
N4 C50 C49 124.4(7) . .
N5 C51 C52 123.1(7) . .
C51 C52 C53 119.1(7) . .
C54 C53 C52 117.1(7) . .
C54 C53 C56 122.8(7) . .
C52 C53 C56 120.0(7) . .
C53 C54 C55 120.6(7) . .
N5 C55 C54 121.4(7) . .
C57 C56 C53 171.5(9) . .
C56 C57 C58 178.6(9) . .
C59 C58 C60 118.4(7) . 2_786
C59 C58 C57 122.1(7) . .
C60 C58 C57 119.6(7) 2_786 .
C60 C59 C58 121.4(7) . .
C59 C60 C58 120.2(7) . 2_786
O1 Cu1 N2 91.8(2) . 1_645
O1 Cu1 O4 167.22(19) . .
N2 Cu1 O4 88.5(2) 1_645 .
O1 Cu1 N1 89.4(2) . .
N2 Cu1 N1 167.8(2) 1_645 .
O4 Cu1 N1 93.0(2) . .
O1 Cu1 O1M 80.18(18) . .
N2 Cu1 O1M 95.27(19) 1_645 .
O4 Cu1 O1M 87.1(2) . .
N1 Cu1 O1M 96.90(19) . .
N3 Cu2 N4 178.5(2) . 1_656
N3 Cu2 N5 87.0(2) . .
N4 Cu2 N5 93.7(2) 1_656 .
N3 Cu2 O7 91.76(18) . .
N4 Cu2 O7 88.67(19) 1_656 .
N5 Cu2 O7 136.1(2) . .
N3 Cu2 O10 87.52(19) . .
N4 Cu2 O10 91.1(2) 1_656 .
N5 Cu2 O10 143.2(2) . .
O7 Cu2 O10 80.50(19) . .
C5 N1 C1 118.5(6) . .
C5 N1 Cu1 120.8(4) . .
C1 N1 Cu1 120.7(4) . .
C20 N2 C16 116.1(6) . .
C20 N2 Cu1 120.7(4) . 1_465
C16 N2 Cu1 122.9(5) . 1_465
C35 N3 C31 116.8(5) . .
C35 N3 Cu2 124.7(4) . .
C31 N3 Cu2 118.1(4) . .
C50 N4 C46 115.6(6) . .
C50 N4 Cu2 119.9(4) . 1_454
C46 N4 Cu2 124.4(5) . 1_454
C51 N5 C55 118.4(6) . .
C51 N5 Cu2 121.0(5) . .
C55 N5 Cu2 120.5(5) . .
O3 N11 O2 124.0(6) . .
O3 N11 O1 117.6(5) . .
O2 N11 O1 118.4(6) . .
O6 N12 O5 122.2(8) . .
O6 N12 O4 118.4(9) . .
O5 N12 O4 119.4(8) . .
O8 N13 O9 122.7(7) . .
O8 N13 O7 117.7(7) . .
O9 N13 O7 119.5(7) . .
O12 N14 O11 121.8(7) . .
O12 N14 O10 120.7(7) . .
O11 N14 O10 117.5(6) . .
N11 O1 Cu1 114.5(4) . .
N12 O4 Cu1 112.9(5) . .
N13 O7 Cu2 113.2(4) . .
N14 O10 Cu2 104.5(4) . .
C1M O1M Cu1 134.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.336(7) .
C1 C2 1.388(9) .
C2 C3 1.381(8) .
C3 C4 1.390(8) .
C3 C6 1.455(9) .
C4 C5 1.394(8) .
C5 N1 1.336(7) .
C6 C7 1.174(9) .
C7 C8 1.446(9) .
C8 C13 1.370(9) .
C8 C9 1.391(8) .
C9 C10 1.372(8) .
C10 C11 1.385(9) .
C11 C12 1.389(8) .
C11 C14 1.437(9) .
C12 C13 1.384(9) .
C14 C15 1.180(8) .
C15 C18 1.444(9) .
C16 N2 1.349(8) .
C16 C17 1.377(9) .
C17 C18 1.395(8) .
C18 C19 1.388(9) .
C19 C20 1.359(9) .
C20 N2 1.339(7) .
C31 N3 1.359(8) .
C31 C32 1.359(8) .
C32 C33 1.386(8) .
C33 C34 1.388(9) .
C33 C36 1.428(8) .
C34 C35 1.393(8) .
C35 N3 1.333(7) .
C36 C37 1.190(8) .
C37 C38 1.444(8) .
C38 C43 1.390(8) .
C38 C39 1.392(9) .
C39 C40 1.388(8) .
C40 C41 1.391(8) .
C41 C42 1.377(9) .
C41 C44 1.440(8) .
C42 C43 1.387(8) .
C44 C45 1.186(8) .
C45 C48 1.455(8) .
C46 N4 1.326(8) .
C46 C47 1.372(9) .
C47 C48 1.370(10) .
C48 C49 1.364(9) .
C49 C50 1.386(8) .
C50 N4 1.319(9) .
C51 N5 1.324(7) .
C51 C52 1.382(10) .
C52 C53 1.393(10) .
C53 C54 1.373(9) .
C53 C56 1.442(10) .
C54 C55 1.389(10) .
C55 N5 1.338(8) .
C56 C57 1.181(9) .
C57 C58 1.442(10) .
C58 C59 1.377(10) .
C58 C60 1.384(9) 2_786
C59 C60 1.367(10) .
C60 C58 1.384(9) 2_786
C1M O1M 1.411(9) .
Cu1 O1 1.982(5) .
Cu1 N2 1.991(5) 1_645
Cu1 O4 1.994(5) .
Cu1 N1 1.996(5) .
Cu1 O1M 2.259(5) .
Cu2 N3 2.007(5) .
Cu2 N4 2.018(5) 1_656
Cu2 N5 2.038(6) .
Cu2 O7 2.117(4) .
Cu2 O10 2.196(5) .
N2 Cu1 1.991(5) 1_465
N4 Cu2 2.018(5) 1_454
N11 O3 1.228(7) .
N11 O2 1.233(6) .
N11 O1 1.296(6) .
N12 O6 1.224(9) .
N12 O5 1.238(9) .
N12 O4 1.281(7) .
N13 O8 1.219(8) .
N13 O9 1.225(7) .
N13 O7 1.280(7) .
N14 O12 1.216(7) .
N14 O11 1.251(7) .
N14 O10 1.257(7) .
C1S O1S 1.363(12) .
O2S C2S 1.374(12) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1M H1M O7 0.899(11) 1.93(4) 2.750(7) 152(8)
O1M H1M O9 0.899(11) 2.63(5) 3.433(8) 150(7)
O1S H1S O6 0.85 2.40 3.254(18) 179.6
