#------------------------------------------------------------------------------
#$Date: 2019-11-23 13:48:25 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233500 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/89/4348943.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_4348943
loop_
_publ_author_name
'Rao, Purna Chandra'
'Chaudhary, Sonu Pratap'
'Kuznetsov, Denis'
'Mandal, Sukhendu'
_publ_section_title
;
 Transformation of One-Dimensional Achiral Structure to Three-Dimensional
 Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral
 Structure.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12669
_journal_page_last               12674
_journal_paper_doi               10.1021/acs.inorgchem.6b01836
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C32 H26 Cu2 N4 O14'
_chemical_formula_weight         817.65
_chemical_name_common            coppercarboxylatecoordinationpolymer
_space_group_crystal_system      hexagonal
_space_group_IT_number           170
_space_group_name_Hall           'P 65'
_space_group_name_H-M_alt        'P 65'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.0550(2)
_cell_length_b                   11.0550(2)
_cell_length_c                   47.6676(10)
_cell_measurement_reflns_used    6847
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.364
_cell_measurement_theta_min      3.015
_cell_volume                     5045.12(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            26345
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.364
_diffrn_reflns_theta_min         3.015
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_T_max  0.775
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_description       rod
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.035(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6847
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0254P)²+5.0400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0916
_reflns_Friedel_coverage         0.976
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                6327
_reflns_number_total             6847
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b01836_si_002.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        5045.1(2)
_cod_database_code               4348943
_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   0.730
_shelx_estimated_absorpt_t_max   0.775
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x-y, x, z+5/6'
'y, -x+y, z+1/6'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'-x, -y, 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
C1 C 0.5347(7) -0.0117(7) 0.72966(16) 0.0434(16) Uani 1 1 d . .
C2 C 0.5633(7) 0.0550(7) 0.70175(15) 0.0432(15) Uani 1 1 d . .
O11 O 0.5695(5) 0.1810(4) 0.70002(10) 0.0450(10) Uani 1 1 d . .
C4 C 0.5912(7) 0.2188(7) 0.67231(15) 0.0499(17) Uani 1 1 d . .
C5 C 0.5957(10) 0.1200(10) 0.65742(16) 0.069(2) Uani 1 1 d . .
H5 H 0.6080 0.1201 0.6381 0.082 Uiso 1 1 calc R U
C3 C 0.5782(9) 0.0150(9) 0.67632(16) 0.065(2) Uani 1 1 d . .
H3 H 0.5773 -0.0674 0.6719 0.078 Uiso 1 1 calc R U
C6 C 0.7811(7) 0.0469(8) 0.78178(18) 0.0506(17) Uani 1 1 d . .
H6 H 0.7800 0.1302 0.7804 0.061 Uiso 1 1 calc R U
C7 C 0.9084(7) 0.0503(8) 0.78017(18) 0.0525(19) Uani 1 1 d . .
H7 H 0.9903 0.1353 0.7778 0.063 Uiso 1 1 calc R U
C8 C 0.9142(6) -0.0710(7) 0.78207(14) 0.0361(14) Uani 1 1 d . .
C9 C 0.7898(7) -0.1909(7) 0.7862(2) 0.054(2) Uani 1 1 d . .
H9 H 0.7882 -0.2756 0.7878 0.065 Uiso 1 1 calc R U
C10 C 0.6661(7) -0.1884(8) 0.78800(17) 0.0480(18) Uani 1 1 d . .
H10 H 0.5833 -0.2715 0.7913 0.058 Uiso 1 1 calc R U
C11 C 0.2973(7) 0.0477(8) 0.7820(2) 0.059(2) Uani 1 1 d . .
H11 H 0.3815 0.1315 0.7830 0.071 Uiso 1 1 calc R U
C12 C 0.1755(7) 0.0520(7) 0.7824(2) 0.062(2) Uani 1 1 d . .
H12 H 0.1787 0.1375 0.7838 0.074 Uiso 1 1 calc R U
C13 C 0.0489(6) -0.0689(7) 0.78063(15) 0.0374(14) Uani 1 1 d . .
C14 C 0.0534(7) -0.1901(7) 0.77737(19) 0.055(2) Uani 1 1 d . .
H14 H -0.0294 -0.2745 0.7753 0.066 Uiso 1 1 calc R U
C15 C 0.1789(8) -0.1883(8) 0.77721(18) 0.054(2) Uani 1 1 d . .
H15 H 0.1786 -0.2720 0.7749 0.065 Uiso 1 1 calc R U
C16 C 0.3458(8) -0.2407(9) 0.83060(16) 0.0532(19) Uani 1 1 d . .
C23 C 0.1996(7) 0.8053(7) 0.69600(19) 0.057(2) Uani 1 1 d . .
H23 H 0.2833 0.8048 0.6949 0.068 Uiso 1 1 calc R U
C24 C 0.2032(8) 0.9340(7) 0.6958(2) 0.060(2) Uani 1 1 d . .
H24 H 0.2885 1.0167 0.6947 0.072 Uiso 1 1 calc R U
C25 C 0.0814(7) 0.9382(6) 0.69719(14) 0.0395(15) Uani 1 1 d . .
C26 C -0.0395(7) 0.8118(7) 0.6976(2) 0.057(2) Uani 1 1 d . .
H26 H -0.1252 0.8085 0.6976 0.068 Uiso 1 1 calc R U
C27 C -0.0352(7) 0.6900(6) 0.69793(19) 0.052(2) Uani 1 1 d . .
H27 H -0.1194 0.6060 0.6984 0.063 Uiso 1 1 calc R U
C17 C -0.1053(8) 0.4150(7) 0.74899(15) 0.0488(17) Uani 1 1 d . .
C18 C -0.2353(7) 0.4166(6) 0.75710(13) 0.0428(16) Uani 1 1 d . .
C19 C -0.3244(8) 0.4352(8) 0.74170(16) 0.0548(19) Uani 1 1 d . .
H19 H -0.3206 0.4473 0.7224 0.066 Uiso 1 1 calc R U
C20 C -0.4262(9) 0.4334(8) 0.75987(15) 0.0572(19) Uani 1 1 d . .
H20 H -0.5019 0.4440 0.7550 0.069 Uiso 1 1 calc R U
C21 C -0.3908(7) 0.4131(7) 0.78560(15) 0.0469(17) Uani 1 1 d . .
O12 O -0.2738(4) 0.4019(5) 0.78482(10) 0.0469(11) Uani 1 1 d . .
C22 C 0.1341(8) 0.5409(7) 0.64632(15) 0.0453(16) Uani 1 1 d . .
C28 C -0.0321(8) 0.2054(7) 0.6982(2) 0.060(2) Uani 1 1 d . .
H28 H -0.1155 0.2067 0.6976 0.072 Uiso 1 1 calc R U
C29 C -0.0381(8) 0.0794(7) 0.6968(2) 0.063(2) Uani 1 1 d . .
H29 H -0.1239 -0.0024 0.6952 0.076 Uiso 1 1 calc R U
C30 C 0.0822(7) 0.0740(6) 0.69772(15) 0.0408(15) Uani 1 1 d . .
C31 C 0.2075(8) 0.1991(6) 0.7001(2) 0.057(2) Uani 1 1 d . .
H31 H 0.2923 0.2008 0.7010 0.068 Uiso 1 1 calc R U
O13W O 0.2389(9) 0.3934(8) 0.77129(15) 0.090(2) Uani 1 1 d D .
H13A H 0.304(10) 0.484(4) 0.774(2) 0.135 Uiso 1 1 d D U
H13B H 0.232(12) 0.362(10) 0.7890(10) 0.135 Uiso 1 1 d D U
O1 O 0.5486(5) 0.0591(5) 0.75110(10) 0.0446(11) Uani 1 1 d . .
O2 O 0.4999(6) -0.1384(6) 0.72999(11) 0.0678(16) Uani 1 1 d . .
O3 O 0.3837(5) -0.2413(6) 0.80541(10) 0.0557(14) Uani 1 1 d . .
O4 O 0.5738(6) 0.1006(6) 0.81961(13) 0.0709(16) Uani 1 1 d . .
H4A H 0.5955 0.1871 0.8127 0.106 Uiso 1 1 d R U
H4B H 0.6357 0.1296 0.8357 0.106 Uiso 1 1 d R U
O5 O 0.3974(7) -0.1417(7) 0.84719(14) 0.090(2) Uani 1 1 d . .
O6 O -0.0836(6) 0.4290(5) 0.72294(10) 0.0502(13) Uani 1 1 d . .
O7 O -0.0350(7) 0.3959(10) 0.76674(13) 0.102(3) Uani 1 1 d . .
O8 O 0.2652(7) 0.5988(6) 0.73321(12) 0.0722(17) Uani 1 1 d . .
H8A H 0.3510 0.6735 0.7334 0.108 Uiso 1 1 d R U
H8B H 0.2751 0.5330 0.7422 0.108 Uiso 1 1 d R U
O9 O 0.2170(5) 0.5760(5) 0.66725(9) 0.0447(11) Uani 1 1 d . .
O10 O 0.0081(6) 0.4569(6) 0.64749(11) 0.0687(16) Uani 1 1 d . .
Cu1 Cu 0.48222(8) -0.07024(9) 0.78335(2) 0.0398(2) Uani 1 1 d . .
Cu2 Cu 0.08613(9) 0.50621(7) 0.70046(2) 0.0367(2) Uani 1 1 d . .
N1 N 0.0821(5) 0.6853(5) 0.69771(12) 0.0384(12) Uani 1 1 d . .
N2 N 0.0867(6) 0.3265(5) 0.70031(12) 0.0380(12) Uani 1 1 d . .
N3 N 0.3008(5) -0.0706(6) 0.78029(13) 0.0429(13) Uani 1 1 d . .
N4 N 0.6620(5) -0.0707(6) 0.78521(12) 0.0378(12) Uani 1 1 d . .
C32 C 0.2018(8) 0.3207(7) 0.7011(2) 0.057(2) Uani 1 1 d . .
H32 H 0.2859 0.4045 0.7025 0.068 Uiso 1 1 calc R U
O14W O 0.7470(12) 0.1014(11) 0.8679(3) 0.177(5) 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'
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'
N N 0.0061 0.0033 '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
O1 C1 O2 124.2(6) .
O1 C1 C2 119.7(6) .
O2 C1 C2 116.0(7) .
C3 C2 O11 109.5(6) .
C3 C2 C1 133.4(7) .
O11 C2 C1 117.0(6) .
C2 O11 C4 106.4(6) .
C5 C4 O11 109.7(6) .
C5 C4 C16 132.0(7) 2_554
O11 C4 C16 117.6(7) 2_554
C4 C5 C3 107.0(7) .
C4 C5 H5 126.5 .
C3 C5 H5 126.5 .
C2 C3 C5 107.4(7) .
C2 C3 H3 126.3 .
C5 C3 H3 126.3 .
N4 C6 C7 122.1(6) .
N4 C6 H6 118.9 .
C7 C6 H6 118.9 .
C8 C7 C6 120.6(6) .
C8 C7 H7 119.7 .
C6 C7 H7 119.7 .
C9 C8 C7 116.1(5) .
C9 C8 C13 122.7(6) 1_655
C7 C8 C13 121.2(6) 1_655
C8 C9 C10 121.0(6) .
C8 C9 H9 119.5 .
C10 C9 H9 119.5 .
N4 C10 C9 122.0(6) .
N4 C10 H10 119.0 .
C9 C10 H10 119.0 .
N3 C11 C12 123.2(6) .
N3 C11 H11 118.4 .
C12 C11 H11 118.4 .
C13 C12 C11 120.4(6) .
C13 C12 H12 119.8 .
C11 C12 H12 119.8 .
C12 C13 C14 116.1(6) .
C12 C13 C8 122.8(6) 1_455
C14 C13 C8 121.1(6) 1_455
C13 C14 C15 120.9(7) .
C13 C14 H14 119.5 .
C15 C14 H14 119.5 .
N3 C15 C14 122.2(6) .
N3 C15 H15 118.9 .
C14 C15 H15 118.9 .
O5 C16 O3 127.0(8) .
O5 C16 C4 119.2(7) 3
O3 C16 C4 113.6(8) 3
N1 C23 C24 122.4(6) .
N1 C23 H23 118.8 .
C24 C23 H23 118.8 .
C25 C24 C23 120.2(6) .
C25 C24 H24 119.9 .
C23 C24 H24 119.9 .
C26 C25 C24 116.1(5) .
C26 C25 C30 122.5(6) 1_565
C24 C25 C30 121.4(6) 1_565
C25 C26 C27 120.5(6) .
C25 C26 H26 119.7 .
C27 C26 H26 119.7 .
N1 C27 C26 123.7(6) .
N1 C27 H27 118.2 .
C26 C27 H27 118.2 .
O7 C17 O6 126.7(7) .
O7 C17 C18 121.0(7) .
O6 C17 C18 112.2(7) .
C19 C18 O12 109.9(6) .
C19 C18 C17 130.7(6) .
O12 C18 C17 119.3(7) .
C18 C19 C20 107.9(7) .
C18 C19 H19 126.0 .
C20 C19 H19 126.0 .
C21 C20 C19 105.4(7) .
C21 C20 H20 127.3 .
C19 C20 H20 127.3 .
C20 C21 O12 111.2(6) .
C20 C21 C22 128.7(7) 3_455
O12 C21 C22 120.1(7) 3_455
C21 O12 C18 105.6(6) .
O10 C22 O9 124.3(6) .
O10 C22 C21 118.8(7) 2_664
O9 C22 C21 116.8(7) 2_664
N2 C28 C29 123.5(7) .
N2 C28 H28 118.2 .
C29 C28 H28 118.2 .
C28 C29 C30 119.6(7) .
C28 C29 H29 120.2 .
C30 C29 H29 120.2 .
C29 C30 C31 117.9(6) .
C29 C30 C25 121.8(6) 1_545
C31 C30 C25 120.3(6) 1_545
C32 C31 C30 117.8(7) .
C32 C31 H31 121.1 .
C30 C31 H31 121.1 .
H13A O13W H13B 100(3) .
C1 O1 Cu1 107.4(4) .
C16 O3 Cu1 121.9(5) .
Cu1 O4 H4A 110.6 .
Cu1 O4 H4B 141.9 .
H4A O4 H4B 99.4 .
C17 O6 Cu2 132.8(5) .
Cu2 O8 H8A 133.7 .
Cu2 O8 H8B 112.7 .
H8A O8 H8B 104.1 .
C22 O9 Cu2 103.2(4) .
O3 Cu1 O1 161.2(2) .
O3 Cu1 N4 92.7(2) .
O1 Cu1 N4 91.5(2) .
O3 Cu1 N3 87.9(2) .
O1 Cu1 N3 87.4(2) .
N4 Cu1 N3 178.4(3) .
O3 Cu1 O4 100.8(2) .
O1 Cu1 O4 97.7(2) .
N4 Cu1 O4 86.6(2) .
N3 Cu1 O4 94.7(2) .
O6 Cu2 N2 92.7(2) .
O6 Cu2 N1 88.6(2) .
N2 Cu2 N1 175.9(2) .
O6 Cu2 O9 161.4(2) .
N2 Cu2 O9 91.11(19) .
N1 Cu2 O9 86.40(19) .
O6 Cu2 O8 104.2(2) .
N2 Cu2 O8 90.9(2) .
N1 Cu2 O8 92.5(2) .
O9 Cu2 O8 93.9(2) .
C23 N1 C27 117.0(5) .
C23 N1 Cu2 120.0(4) .
C27 N1 Cu2 122.9(4) .
C32 N2 C28 116.6(5) .
C32 N2 Cu2 122.6(4) .
C28 N2 Cu2 120.8(5) .
C11 N3 C15 117.0(5) .
C11 N3 Cu1 120.9(4) .
C15 N3 Cu1 122.1(4) .
C6 N4 C10 118.1(5) .
C6 N4 Cu1 119.8(4) .
C10 N4 Cu1 121.9(4) .
N2 C32 C31 124.6(7) .
N2 C32 H32 117.7 .
C31 C32 H32 117.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.249(9) .
C1 O2 1.254(8) .
C1 C2 1.477(9) .
C2 C3 1.329(11) .
C2 O11 1.363(8) .
O11 C4 1.370(8) .
C4 C5 1.324(11) .
C4 C16 1.485(10) 2_554
C5 C3 1.404(11) .
C5 H5 0.9300 .
C3 H3 0.9300 .
C6 N4 1.318(9) .
C6 C7 1.390(9) .
C6 H6 0.9300 .
C7 C8 1.378(9) .
C7 H7 0.9300 .
C8 C9 1.365(9) .
C8 C13 1.479(7) 1_655
C9 C10 1.385(9) .
C9 H9 0.9300 .
C10 N4 1.331(8) .
C10 H10 0.9300 .
C11 N3 1.330(9) .
C11 C12 1.371(9) .
C11 H11 0.9300 .
C12 C13 1.371(9) .
C12 H12 0.9300 .
C13 C14 1.374(9) .
C13 C8 1.479(7) 1_455
C14 C15 1.378(9) .
C14 H14 0.9300 .
C15 N3 1.333(9) .
C15 H15 0.9300 .
C16 O5 1.235(10) .
C16 O3 1.273(9) .
C16 C4 1.485(10) 3
C23 N1 1.316(9) .
C23 C24 1.402(9) .
C23 H23 0.9300 .
C24 C25 1.373(9) .
C24 H24 0.9300 .
C25 C26 1.368(10) .
C25 C30 1.496(8) 1_565
C26 C27 1.371(8) .
C26 H26 0.9300 .
C27 N1 1.323(8) .
C27 H27 0.9300 .
C17 O7 1.237(10) .
C17 O6 1.260(8) .
C17 C18 1.496(10) .
C18 C19 1.325(10) .
C18 O12 1.373(7) .
C19 C20 1.412(10) .
C19 H19 0.9300 .
C20 C21 1.340(11) .
C20 H20 0.9300 .
C21 O12 1.360(8) .
C21 C22 1.492(9) 3_455
C22 O10 1.229(9) .
C22 O9 1.277(9) .
C22 C21 1.492(9) 2_664
C28 N2 1.330(9) .
C28 C29 1.362(9) .
C28 H28 0.9300 .
C29 C30 1.362(10) .
C29 H29 0.9300 .
C30 C31 1.389(9) .
C30 C25 1.496(8) 1_545
C31 C32 1.377(9) .
C31 H31 0.9300 .
O13W H13A 0.904(16) .
O13W H13B 0.902(15) .
O1 Cu1 1.974(5) .
O3 Cu1 1.952(5) .
O4 Cu1 2.380(6) .
O4 H4A 0.9226 .
O4 H4B 0.9715 .
O6 Cu2 1.948(5) .
O8 Cu2 2.319(6) .
O8 H8A 0.8934 .
O8 H8B 0.8960 .
O9 Cu2 2.019(4) .
Cu1 N4 1.992(5) .
Cu1 N3 2.009(5) .
Cu2 N2 1.990(4) .
Cu2 N1 2.008(5) .
N2 C32 1.307(9) .
C32 H32 0.9300 .
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
O1 C1 C2 C3 168.1(8) . .
O2 C1 C2 C3 -10.4(12) . .
O1 C1 C2 O11 -16.1(9) . .
O2 C1 C2 O11 165.3(6) . .
C3 C2 O11 C4 -0.9(8) . .
C1 C2 O11 C4 -177.6(6) . .
C2 O11 C4 C5 1.1(8) . .
C2 O11 C4 C16 173.3(6) . 2_554
O11 C4 C5 C3 -0.9(10) . .
C16 C4 C5 C3 -171.6(8) 2_554 .
O11 C2 C3 C5 0.4(9) . .
C1 C2 C3 C5 176.4(8) . .
C4 C5 C3 C2 0.3(11) . .
N4 C6 C7 C8 0.1(13) . .
C6 C7 C8 C9 -1.4(12) . .
C6 C7 C8 C13 -179.5(7) . 1_655
C7 C8 C9 C10 0.6(12) . .
C13 C8 C9 C10 178.6(7) 1_655 .
C8 C9 C10 N4 1.6(14) . .
N3 C11 C12 C13 -0.7(15) . .
C11 C12 C13 C14 -2.6(13) . .
C11 C12 C13 C8 177.5(8) . 1_455
C12 C13 C14 C15 2.8(12) . .
C8 C13 C14 C15 -177.3(7) 1_455 .
C13 C14 C15 N3 0.3(13) . .
N1 C23 C24 C25 -0.5(15) . .
C23 C24 C25 C26 -2.6(13) . .
C23 C24 C25 C30 178.4(8) . 1_565
C24 C25 C26 C27 3.1(13) . .
C30 C25 C26 C27 -178.0(7) 1_565 .
C25 C26 C27 N1 -0.6(14) . .
O7 C17 C18 C19 179.9(9) . .
O6 C17 C18 C19 -2.9(11) . .
O7 C17 C18 O12 2.5(11) . .
O6 C17 C18 O12 179.8(6) . .
O12 C18 C19 C20 0.2(9) . .
C17 C18 C19 C20 -177.3(7) . .
C18 C19 C20 C21 -0.1(9) . .
C19 C20 C21 O12 0.0(8) . .
C19 C20 C21 C22 177.8(7) . 3_455
C20 C21 O12 C18 0.2(7) . .
C22 C21 O12 C18 -177.9(6) 3_455 .
C19 C18 O12 C21 -0.2(7) . .
C17 C18 O12 C21 177.6(6) . .
N2 C28 C29 C30 0.3(15) . .
C28 C29 C30 C31 0.1(14) . .
C28 C29 C30 C25 178.0(8) . 1_545
C29 C30 C31 C32 -0.5(13) . .
C25 C30 C31 C32 -178.5(8) 1_545 .
O2 C1 O1 Cu1 -7.4(8) . .
C2 C1 O1 Cu1 174.1(5) . .
O5 C16 O3 Cu1 -24.2(11) . .
C4 C16 O3 Cu1 150.8(5) 3 .
O7 C17 O6 Cu2 -31.0(12) . .
C18 C17 O6 Cu2 152.0(4) . .
O10 C22 O9 Cu2 -14.8(8) . .
C21 C22 O9 Cu2 164.3(5) 2_664 .
C24 C23 N1 C27 3.0(13) . .
C24 C23 N1 Cu2 -176.0(7) . .
C26 C27 N1 C23 -2.6(12) . .
C26 C27 N1 Cu2 176.4(7) . .
C29 C28 N2 C32 -0.2(14) . .
C29 C28 N2 Cu2 177.2(7) . .
C12 C11 N3 C15 3.8(13) . .
C12 C11 N3 Cu1 -174.5(8) . .
C14 C15 N3 C11 -3.6(12) . .
C14 C15 N3 Cu1 174.7(6) . .
C7 C6 N4 C10 2.0(12) . .
C7 C6 N4 Cu1 -173.6(6) . .
C9 C10 N4 C6 -2.8(12) . .
C9 C10 N4 Cu1 172.7(6) . .
C28 N2 C32 C31 -0.3(14) . .
Cu2 N2 C32 C31 -177.6(7) . .
C30 C31 C32 N2 0.7(15) . .
