#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:56:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180456 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/25/7212555.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_7212555
loop_
_publ_author_name
'Abrahams, Brendan F.'
'Grannas, Martin J.'
'McCormick, Laura J.'
'Robson, Richard'
'Thistlethwaite, Peter J.'
_publ_section_title
;
 Chiral and achiral linear coordination polymers from aldaric acids
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2885
_journal_paper_doi               10.1039/c001505a
_journal_volume                  12
_journal_year                    2010
_chemical_absolute_configuration rm
_chemical_formula_sum            'C32 H50 Cu2 N4 O25'
_chemical_formula_weight         1017.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_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                111.295(6)
_cell_angle_beta                 97.980(5)
_cell_angle_gamma                102.352(6)
_cell_formula_units_Z            1
_cell_length_a                   6.953(2)
_cell_length_b                   12.209(4)
_cell_length_c                   13.829(4)
_cell_measurement_reflns_used    2914
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      26.82
_cell_measurement_theta_min      2.93
_cell_volume                     1037.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6354
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.123
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.783541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sheldrick, G. M. SAD ABS'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flat
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.690
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.030(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         5223
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0831P)²+0.3085P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1319
_reflns_number_gt                4916
_reflns_number_total             5223
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c001505a.txt
_cod_data_source_block           lma331m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1037.8(6)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7212555
loop_
_symmetry_equiv_pos_as_xyz
'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
O3 O 0.5091(9) 0.4573(5) 0.4377(5) 0.0274(15) Uiso 0.712(10) 1 d P A 1
O1W O 0.5914(13) 0.5752(8) 0.6573(7) 0.056(2) Uiso 0.712(10) 1 d P A 1
O6B O 1.1031(12) 0.4285(7) 0.4480(6) 0.046(2) Uiso 0.712(10) 1 d P A 1
O3B O 0.629(2) 0.4936(13) 0.4291(11) 0.027(4) Uiso 0.288(10) 1 d P A 2
O2W O 0.457(3) 0.5220(18) 0.5946(16) 0.053(6) Uiso 0.288(10) 1 d P A 2
O6C O 1.030(2) 0.4727(14) 0.5107(13) 0.036(4) Uiso 0.288(10) 1 d P A 2
O3W O 0.9449(7) 0.2299(4) 0.1624(4) 0.0475(13) Uani 1 1 d . . .
O4W O 0.3349(9) 0.1326(5) 0.9753(4) 0.0435(12) Uani 1 1 d . . .
O5W O 0.4116(11) 0.7475(6) 0.7560(5) 0.060 Uiso 0.933(14) 1 d P . .
O6W O 0.1154(11) 0.4798(6) 0.7690(5) 0.060 Uiso 0.905(14) 1 d P . .
O7W O 0.7832(11) 0.7865(6) 0.9002(5) 0.060 Uiso 0.956(14) 1 d P . .
O8W O 0.9437(12) 0.0428(7) 0.9790(6) 0.060 Uiso 0.847(14) 1 d P . .
O9W O 0.0076(14) 0.6708(8) 0.7597(7) 0.060 Uiso 0.710(14) 1 d P . .
O10W O 0.5459(16) 0.0034(9) 0.8372(8) 0.060 Uiso 0.661(14) 1 d P . .
O11W O 0.400(3) -0.0268(18) 0.7876(15) 0.060 Uiso 0.344(14) 1 d P . .
O12W O 0.795(3) 0.0871(19) 0.8266(16) 0.060 Uiso 0.315(14) 1 d P . .
O13W O 0.875(4) 0.104(2) 0.932(2) 0.060 Uiso 0.254(14) 1 d P . .
C1 C 0.4369(8) 0.4378(5) 0.2258(4) 0.0190(11) Uani 1 1 d . . .
C2 C 0.4781(9) 0.3315(5) 0.2511(4) 0.0225(11) Uani 1 1 d . A .
H2 H 0.3470 0.2766 0.2492 0.027 Uiso 1 1 calc R . .
C3 C 0.6170(15) 0.3822(5) 0.3618(5) 0.047(2) Uani 1 1 d . . .
C4 C 0.6411(11) 0.2779(6) 0.3959(5) 0.0333(14) Uani 1 1 d . A .
H4 H 0.6884 0.2200 0.3386 0.040 Uiso 1 1 calc R . .
C5 C 0.8056(15) 0.3241(7) 0.5018(5) 0.052(2) Uani 1 1 d . . .
H5 H 0.7887 0.4006 0.5551 0.063 Uiso 1 1 calc R A .
C6 C 1.0250(15) 0.3500(8) 0.4850(7) 0.068(3) Uani 1 1 d . A .
C7 C 1.3600(10) 0.2300(6) 0.6843(5) 0.0305(13) Uani 1 1 d . A .
C8 C 1.4833(10) 0.2821(6) 0.8011(5) 0.0307(13) Uani 1 1 d . . .
H8 H 1.5736 0.2296 0.8057 0.037 Uiso 1 1 calc R . .
C9 C 1.6180(11) 0.4114(6) 0.8274(6) 0.0383(16) Uani 1 1 d . . .
H9 H 1.7300 0.4037 0.7895 0.046 Uiso 1 1 calc R . .
C10 C 1.7135(11) 0.4860(6) 0.9495(6) 0.0416(18) Uani 1 1 d . . .
H10 H 1.6036 0.5093 0.9849 0.050 Uiso 1 1 calc R . .
C11 C 1.8220(9) 0.4240(6) 1.0088(5) 0.0284(13) Uani 1 1 d . . .
H11 H 1.7272 0.3438 0.9974 0.034 Uiso 1 1 calc R . .
C12 C 0.0103(8) 0.4012(5) -0.0329(5) 0.0251(12) Uani 1 1 d . . .
C13 C 0.3137(11) 0.7316(8) 0.0505(6) 0.0357(16) Uani 1 1 d . . .
H13 H 0.2827 0.6566 -0.0106 0.043 Uiso 1 1 calc R B 1
C14 C 0.3690(12) 0.8386(8) 0.0377(7) 0.044(2) Uani 1 1 d . D .
H14 H 0.3740 0.8379 -0.0308 0.053 Uiso 1 1 calc R . .
C15 C 0.4182(11) 0.9493(7) 0.1274(7) 0.043(2) Uani 1 1 d . . .
H15 H 0.4576 1.0255 0.1212 0.052 Uiso 1 1 calc R D .
C16 C 0.4082(10) 0.9457(7) 0.2259(7) 0.0407(18) Uani 1 1 d . D .
H16 H 0.4400 1.0197 0.2881 0.049 Uiso 1 1 calc R . .
C17 C 0.3516(9) 0.8332(6) 0.2329(6) 0.0274(14) Uani 1 1 d . . .
C18 C 0.3358(9) 0.8199(6) 0.3333(6) 0.0280(14) Uani 1 1 d . D .
C19 C 0.3798(10) 0.9166(6) 0.4328(6) 0.0351(17) Uani 1 1 d . . .
H19 H 0.4238 0.9990 0.4401 0.042 Uiso 1 1 calc R D .
C20 C 0.3591(11) 0.8916(6) 0.5200(6) 0.0346(16) Uani 1 1 d . D .
H20 H 0.3920 0.9568 0.5888 0.042 Uiso 1 1 calc R . .
C21 C 0.2894(11) 0.7699(7) 0.5082(6) 0.0363(16) Uani 1 1 d . . .
H21 H 0.2702 0.7512 0.5677 0.044 Uiso 1 1 calc R D .
C22 C 0.2485(10) 0.6762(6) 0.4053(5) 0.0304(15) Uani 1 1 d . D .
H22 H 0.2044 0.5930 0.3957 0.037 Uiso 1 1 calc R C 1
C23 C 0.9611(18) 0.0306(12) 0.2893(10) 0.022(3) Uiso 0.598(17) 1 d P A 1
H23 H 1.0169 0.1114 0.2949 0.027 Uiso 0.598(17) 1 calc PR A 1
C24 C 0.9087(19) -0.0642(13) 0.1925(10) 0.031(3) Uiso 0.598(17) 1 d P A 1
H24 H 0.9197 -0.0495 0.1303 0.038 Uiso 0.598(17) 1 calc PR A 1
C25 C 0.839(2) -0.1830(13) 0.1843(14) 0.033(3) Uiso 0.598(17) 1 d P A 1
H25 H 0.8052 -0.2506 0.1169 0.040 Uiso 0.598(17) 1 calc PR A 1
C26 C 0.8195(18) -0.2010(11) 0.2715(11) 0.028(3) Uiso 0.598(17) 1 d P A 1
H26 H 0.7709 -0.2823 0.2663 0.033 Uiso 0.598(17) 1 calc PR A 1
C27 C 0.8699(18) -0.1012(11) 0.3726(12) 0.025(3) Uiso 0.598(17) 1 d P A 1
C28 C 0.8595(18) -0.1143(11) 0.4721(12) 0.026(3) Uiso 0.598(17) 1 d P A 1
C29 C 0.788(2) -0.2290(12) 0.4726(14) 0.035(3) Uiso 0.598(17) 1 d P A 1
H29 H 0.7387 -0.3030 0.4099 0.042 Uiso 0.598(17) 1 calc PR A 1
C30 C 0.796(3) -0.2235(19) 0.5792(16) 0.053(4) Uiso 0.598(17) 1 d P A 1
H30 H 0.7557 -0.2978 0.5884 0.063 Uiso 0.598(17) 1 calc PR A 1
C31 C 0.858(3) -0.1163(17) 0.6660(17) 0.056(5) Uiso 0.598(17) 1 d P A 1
H31 H 0.8613 -0.1171 0.7346 0.068 Uiso 0.598(17) 1 calc PR A 1
C32 C 0.920(2) -0.0013(15) 0.6575(14) 0.040(3) Uiso 0.598(17) 1 d P A 1
H32 H 0.9536 0.0763 0.7160 0.048 Uiso 0.598(17) 1 calc PR A 1
N1 N 0.3006(8) 0.7267(5) 0.1451(5) 0.0278(12) Uani 1 1 d . D 1
N2 N 0.2703(8) 0.7018(5) 0.3212(4) 0.0220(11) Uani 1 1 d . D 1
N3 N 0.9356(16) 0.0131(10) 0.3799(9) 0.022(3) Uiso 0.598(17) 1 d P A 1
N4B N 0.925(2) -0.0205(13) 0.5315(12) 0.037(3) Uiso 0.598(17) 1 d P A 1
O1A O 0.2554(6) 0.4458(4) 0.2218(3) 0.0238(8) Uani 1 1 d . D .
O1B O 0.5738(6) 0.5098(4) 0.2116(3) 0.0270(9) Uani 1 1 d . . .
O2 O 0.5737(7) 0.2623(4) 0.1770(3) 0.0309(10) Uani 1 1 d . . .
H2A H 0.4995 0.2340 0.1150 0.046 Uiso 1 1 calc R A .
O4 O 0.4517(8) 0.2112(5) 0.3996(4) 0.0451(13) Uani 1 1 d . . .
O5 O 0.7800(9) 0.2313(6) 0.5423(4) 0.0499(14) Uani 1 1 d . A .
H5A H 0.6622 0.2149 0.5516 0.075 Uiso 1 1 calc R . .
O6A O 1.1260(9) 0.2793(5) 0.4899(4) 0.0447(13) Uani 1 1 d . . .
O7A O 1.1733(7) 0.2262(5) 0.6741(4) 0.0372(11) Uani 1 1 d . . .
O7B O 1.4379(8) 0.1908(5) 0.6103(4) 0.0421(12) Uani 1 1 d . . .
O8 O 1.3614(6) 0.2847(4) 0.8771(3) 0.0317(9) Uani 1 1 d . . .
H8A H 1.2462 0.2878 0.8525 0.047 Uiso 1 1 calc R . .
O9 O 1.5072(9) 0.4835(5) 0.7939(5) 0.0630(17) Uani 1 1 d . . .
O10 O 1.8531(9) 0.5946(5) 0.9598(5) 0.0594(17) Uani 1 1 d . . .
O11 O 1.8864(6) 0.5006(4) 1.1209(3) 0.0334(10) Uani 1 1 d . . .
O12A O 0.1849(6) 0.4660(4) 0.0265(3) 0.0253(9) Uani 1 1 d . D .
O12B O -0.0173(7) 0.3217(4) -0.1236(3) 0.0368(11) Uani 1 1 d . . .
Cu1 Cu 0.22322(7) 0.57652(5) 0.17341(4) 0.01996(17) Uani 1 1 d . . .
Cu2 Cu 1.02660(9) 0.14235(6) 0.52521(5) 0.0302(2) Uani 1 1 d . A .
N3A N 0.956(3) 0.0299(16) 0.3589(15) 0.028(4) Uiso 0.402(17) 1 d P A 2
C24B C 0.932(3) -0.023(2) 0.1759(17) 0.040(5) Uiso 0.402(17) 1 d P A 2
H24B H 0.9457 -0.0016 0.1169 0.048 Uiso 0.402(17) 1 calc PR A 2
C28B C 0.868(3) -0.1159(16) 0.432(2) 0.030(4) Uiso 0.402(17) 1 d P A 2
C26B C 0.833(3) -0.1849(17) 0.235(2) 0.030(4) Uiso 0.402(17) 1 d P A 2
H26B H 0.7819 -0.2694 0.2204 0.036 Uiso 0.402(17) 1 calc PR A 2
C27B C 0.884(3) -0.0913(16) 0.3413(17) 0.028(4) Uiso 0.402(17) 1 d P A 2
C29B C 0.789(5) -0.236(3) 0.423(3) 0.070(8) Uiso 0.402(17) 1 d P A 2
H29B H 0.7370 -0.3050 0.3566 0.084 Uiso 0.402(17) 1 calc PR A 2
C23B C 0.980(3) 0.069(2) 0.2840(16) 0.034(5) Uiso 0.402(17) 1 d P A 2
H23B H 1.0286 0.1537 0.2999 0.041 Uiso 0.402(17) 1 calc PR A 2
C25B C 0.859(3) -0.149(2) 0.1634(16) 0.036(5) Uiso 0.402(17) 1 d P A 2
H25B H 0.8293 -0.2103 0.0929 0.043 Uiso 0.402(17) 1 calc PR A 2
C30B C 0.792(4) -0.246(2) 0.519(3) 0.054(6) Uiso 0.402(17) 1 d P A 2
H30B H 0.7480 -0.3274 0.5150 0.065 Uiso 0.402(17) 1 calc PR A 2
C32B C 0.919(3) -0.037(2) 0.6140(19) 0.036(5) Uiso 0.402(17) 1 d P A 2
H32B H 0.9912 0.0236 0.6829 0.043 Uiso 0.402(17) 1 calc PR A 2
C31B C 0.849(3) -0.155(2) 0.620(2) 0.043(5) Uiso 0.402(17) 1 d P A 2
H31B H 0.8442 -0.1665 0.6837 0.051 Uiso 0.402(17) 1 calc PR A 2
N4 N 0.916(2) -0.0011(13) 0.5654(14) 0.016(3) Uiso 0.402(17) 1 d P A 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_3
O8W O13W O12W 137(2) .
O1B C1 O1A 124.1(5) .
O1B C1 C2 120.6(5) .
O1A C1 C2 115.3(5) .
O2 C2 C3 108.1(5) .
O2 C2 C1 111.6(5) .
C3 C2 C1 109.4(4) .
O3B C3 C2 118.3(8) .
O3B C3 O3 36.1(7) .
C2 C3 O3 105.9(6) .
O3B C3 C4 123.9(8) .
C2 C3 C4 111.0(5) .
O3 C3 C4 106.9(6) .
O4 C4 C3 110.4(6) .
O4 C4 C5 112.8(6) .
C3 C4 C5 112.6(6) .
O5 C5 C6 107.3(6) .
O5 C5 C4 108.6(7) .
C6 C5 C4 112.5(7) .
O6A C6 O6B 114.4(10) .
O6A C6 O6C 145.2(10) .
O6B C6 O6C 47.6(8) .
O6A C6 C5 119.4(7) .
O6B C6 C5 125.1(9) .
O6C C6 C5 89.1(10) .
O7B C7 O7A 124.5(6) .
O7B C7 C8 120.8(6) .
O7A C7 C8 114.6(6) .
O8 C8 C9 110.7(5) .
O8 C8 C7 114.1(5) .
C9 C8 C7 107.6(6) .
O9 C9 C8 112.1(5) .
O9 C9 C10 106.3(6) .
C8 C9 C10 112.8(6) .
O10 C10 C11 108.7(5) .
O10 C10 C9 106.2(7) .
C11 C10 C9 117.4(5) .
O11 C11 C10 110.2(5) .
O11 C11 C12 108.4(5) 1_756
C10 C11 C12 110.3(6) 1_756
O12B C12 O12A 123.4(5) .
O12B C12 C11 117.8(5) 1_354
O12A C12 C11 118.8(5) 1_354
N1 C13 C14 123.5(8) .
C13 C14 C15 118.6(7) .
C16 C15 C14 118.6(7) .
C17 C16 C15 119.6(8) .
N1 C17 C16 121.3(7) .
N1 C17 C18 115.1(6) .
C16 C17 C18 123.6(7) .
N2 C18 C19 121.2(7) .
N2 C18 C17 113.8(6) .
C19 C18 C17 125.0(6) .
C20 C19 C18 119.1(7) .
C19 C20 C21 120.1(6) .
C20 C21 C22 117.9(7) .
N2 C22 C21 121.4(7) .
C24 C23 N3 121.7(13) .
C23 C24 C25 119.6(14) .
C26 C25 C24 119.1(13) .
C25 C26 C27 121.1(13) .
N3 C27 C26 119.5(14) .
N3 C27 C28 116.3(11) .
C26 C27 C28 124.1(12) .
N4B C28 C29 136.6(18) .
N4B C28 C27 102.6(14) .
C29 C28 C27 120.7(13) .
C28 C29 C30 112.5(14) .
C31 C30 C29 122.0(18) .
C30 C31 C32 121.7(18) .
C31 C32 N4B 111.6(14) .
C13 N1 C17 118.4(6) .
C13 N1 Cu1 127.0(5) .
C17 N1 Cu1 114.5(5) .
C22 N2 C18 120.2(6) .
C22 N2 Cu1 124.5(5) .
C18 N2 Cu1 115.2(5) .
C27 N3 C23 118.8(11) .
C27 N3 Cu2 115.8(10) .
C23 N3 Cu2 124.7(9) .
C28 N4B C32 114.9(14) .
C28 N4B Cu2 134.6(14) .
C32 N4B Cu2 110.1(10) .
C1 O1A Cu1 109.5(4) .
C6 O6A Cu2 122.1(6) .
C7 O7A Cu2 111.1(4) .
C11 O11 Cu1 111.4(3) 1_756
C12 O12A Cu1 122.2(4) .
O12A Cu1 O1A 90.80(18) .
O12A Cu1 N2 175.3(2) .
O1A Cu1 N2 93.5(2) .
O12A Cu1 N1 93.9(2) .
O1A Cu1 N1 158.89(19) .
N2 Cu1 N1 81.3(2) .
O12A Cu1 O11 78.03(17) 1_354
O1A Cu1 O11 93.11(18) 1_354
N2 Cu1 O11 103.66(19) 1_354
N1 Cu1 O11 108.0(2) 1_354
O6A Cu2 O7A 94.6(2) .
O6A Cu2 N3 98.3(4) .
O7A Cu2 N3 157.8(3) .
O6A Cu2 N4B 168.3(5) .
O7A Cu2 N4B 95.1(4) .
N3 Cu2 N4B 70.5(6) .
O6A Cu2 N4 178.5(5) .
O7A Cu2 N4 84.8(5) .
N3 Cu2 N4 82.7(6) .
N4B Cu2 N4 13.0(5) .
O6A Cu2 N3A 87.1(6) .
O7A Cu2 N3A 160.4(5) .
N3 Cu2 N3A 11.3(6) .
N4B Cu2 N3A 81.6(8) .
N4 Cu2 N3A 93.9(8) .
C23B N3A C27B 124(2) .
C23B N3A Cu2 125.6(15) .
C27B N3A Cu2 110.1(15) .
C23B C24B C25B 115(2) .
C27B C28B C29B 121(2) .
C27B C28B N4 124.9(14) .
C29B C28B N4 113(2) .
C25B C26B C27B 115.9(19) .
N3A C27B C28B 116.3(16) .
N3A C27B C26B 120(2) .
C28B C27B C26B 123.5(18) .
C30B C29B C28B 115(3) .
N3A C23B C24B 117(2) .
C26B C25B C24B 127(2) .
C31B C30B C29B 129(3) .
N4 C32B C31B 141(3) .
C30B C31B C32B 110(2) .
C32B N4 C28B 110.2(19) .
C32B N4 Cu2 150(2) .
C28B N4 Cu2 94.2(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O3 C3 1.523(9) .
O6B C6 1.299(11) .
O3B C3 1.317(15) .
O6C C6 1.399(19) .
O8W O13W 1.28(3) .
O10W O11W 1.05(2) .
O12W O13W 1.41(3) .
C1 O1B 1.240(7) .
C1 O1A 1.281(7) .
C1 C2 1.533(7) .
C2 O2 1.417(7) .
C2 C3 1.518(8) .
C3 C4 1.543(9) .
C4 O4 1.410(9) .
C4 C5 1.558(9) .
C5 O5 1.426(10) .
C5 C6 1.558(15) .
C6 O6A 1.237(12) .
C7 O7B 1.217(8) .
C7 O7A 1.275(8) .
C7 C8 1.543(9) .
C8 O8 1.436(8) .
C8 C9 1.535(9) .
C9 O9 1.439(8) .
C9 C10 1.560(10) .
C10 O10 1.412(10) .
C10 C11 1.529(9) .
C11 O11 1.433(7) .
C11 C12 1.541(8) 1_756
C12 O12B 1.233(7) .
C12 O12A 1.271(7) .
C12 C11 1.541(8) 1_354
C13 N1 1.347(9) .
C13 C14 1.362(11) .
C14 C15 1.396(13) .
C15 C16 1.390(12) .
C16 C17 1.387(10) .
C17 N1 1.352(9) .
C17 C18 1.472(10) .
C18 N2 1.356(9) .
C18 C19 1.388(9) .
C19 C20 1.366(11) .
C20 C21 1.400(11) .
C21 C22 1.407(10) .
C22 N2 1.328(9) .
C23 C24 1.351(18) .
C23 N3 1.373(17) .
C24 C25 1.38(2) .
C25 C26 1.32(2) .
C26 C27 1.417(17) .
C27 N3 1.334(18) .
C27 C28 1.451(18) .
C28 N4B 1.088(18) .
C28 C29 1.39(2) .
C29 C30 1.44(2) .
C30 C31 1.35(3) .
C31 C32 1.43(2) .
C32 N4B 1.68(2) .
N1 Cu1 1.990(6) .
N2 Cu1 1.988(5) .
N3 Cu2 1.961(10) .
N4B Cu2 2.000(13) .
O1A Cu1 1.983(4) .
O6A Cu2 1.925(5) .
O7A Cu2 1.941(4) .
O11 Cu1 2.232(4) 1_756
O12A Cu1 1.930(4) .
Cu1 O11 2.232(4) 1_354
Cu2 N4 2.053(15) .
Cu2 N3A 2.125(18) .
N3A C23B 1.30(3) .
N3A C27B 1.37(3) .
C24B C23B 1.44(3) .
C24B C25B 1.45(3) .
C28B C27B 1.41(3) .
C28B C29B 1.41(4) .
C28B N4 1.80(3) .
C26B C25B 1.24(3) .
C26B C27B 1.43(3) .
C29B C30B 1.37(4) .
C30B C31B 1.37(4) .
C32B N4 0.92(2) .
C32B C31B 1.45(3) .
