#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:57:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179460 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/57/4335719.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_4335719
loop_
_publ_author_name
'Wen-Jing Hu'
'Long-Qing Liu'
'Ming-Liang Ma'
'Xiao-Li Zhao'
'Yahu A. Liu'
'Xian-Qiang Mi'
'Biao Jiang'
'Ke Wen'
_publ_section_title
;
 A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One-
 and Two-Dimensional Metallosupramolecular Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9309
_journal_page_last               9319
_journal_paper_doi               10.1021/ic400751n
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C24 H12 Cu N8 O12, C6 H6'
_chemical_formula_sum            'C30 H18 Cu N8 O12'
_chemical_formula_weight         746.06
_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                99.7180(10)
_cell_angle_beta                 95.0440(10)
_cell_angle_gamma                101.3990(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9664(3)
_cell_length_b                   12.5605(5)
_cell_length_c                   13.3868(5)
_cell_measurement_reflns_used    8117
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.34
_cell_volume                     1445.19(9)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16823
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.842
_exptl_absorpt_correction_T_max  0.7984
_exptl_absorpt_correction_T_min  0.6881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_description       block
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0314
_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)+(0.0369P)²+1.6037P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                4374
_reflns_number_total             5066
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400751n_5.cif
_cod_data_source_block           z
_cod_database_code               4335719
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
Cu1 Cu 0.41353(3) 0.66738(2) 0.57260(2) 0.02093(10) Uani 1 1 d .
O1 O 0.50536(17) 1.41071(13) 0.85252(12) 0.0217(4) Uani 1 1 d .
O2 O 0.27670(18) 1.24347(14) 1.11353(12) 0.0231(4) Uani 1 1 d .
O3 O -0.18583(18) 1.11734(15) 0.90468(12) 0.0262(4) Uani 1 1 d .
O4 O 0.02633(17) 1.32775(13) 0.66450(13) 0.0237(4) Uani 1 1 d .
O5 O 0.48068(18) 1.02495(13) 0.85194(12) 0.0231(4) Uani 1 1 d .
O6 O 0.03648(18) 0.94442(13) 0.62501(12) 0.0250(4) Uani 1 1 d .
N1 N 0.3409(2) 0.80120(15) 0.64198(14) 0.0180(4) Uani 1 1 d .
N2 N 0.2571(2) 0.98857(15) 0.73893(14) 0.0183(4) Uani 1 1 d .
N3 N 0.3471(2) 1.54876(16) 0.66952(14) 0.0200(4) Uani 1 1 d .
N4 N 0.2654(2) 1.36564(15) 0.75885(14) 0.0187(4) Uani 1 1 d .
N5 N -0.1085(2) 1.22610(17) 1.17333(15) 0.0261(5) Uani 1 1 d .
N6 N 0.0480(2) 1.18164(16) 1.00642(14) 0.0199(4) Uani 1 1 d .
C1 C 0.4586(2) 1.31597(18) 0.89394(17) 0.0179(5) Uani 1 1 d .
C2 C 0.4899(2) 1.21705(19) 0.84861(17) 0.0185(5) Uani 1 1 d .
H2A H 0.5398 1.2115 0.7888 0.022 Uiso 1 1 calc R
C3 C 0.4459(2) 1.12631(19) 0.89357(17) 0.0191(5) Uani 1 1 d .
C4 C 0.3757(2) 1.13202(19) 0.98153(17) 0.0192(5) Uani 1 1 d .
H4A H 0.3476 1.0689 1.0117 0.023 Uiso 1 1 calc R
C5 C 0.3480(2) 1.23354(19) 1.02395(16) 0.0188(5) Uani 1 1 d .
C6 C 0.3885(2) 1.32629(19) 0.98212(17) 0.0185(5) Uani 1 1 d .
H6A H 0.3690 1.3953 1.0128 0.022 Uiso 1 1 calc R
C7 C -0.0003(2) 1.03950(19) 0.68076(17) 0.0195(5) Uani 1 1 d .
C8 C -0.0730(2) 1.03025(19) 0.76649(17) 0.0208(5) Uani 1 1 d .
H8A H -0.0981 0.9616 0.7885 0.025 Uiso 1 1 calc R
C9 C -0.1076(2) 1.1246(2) 0.81884(17) 0.0194(5) Uani 1 1 d .
C10 C -0.0741(2) 1.22502(19) 0.78766(17) 0.0196(5) Uani 1 1 d .
H10A H -0.0992 1.2892 0.8247 0.024 Uiso 1 1 calc R
C11 C -0.0029(2) 1.22889(19) 0.70085(18) 0.0190(5) Uani 1 1 d .
C12 C 0.0349(2) 1.13674(19) 0.64562(17) 0.0198(5) Uani 1 1 d .
H12A H 0.0833 1.1406 0.5856 0.024 Uiso 1 1 calc R
C13 C 0.4474(3) 1.52369(19) 0.73710(17) 0.0212(5) Uani 1 1 d .
H13A H 0.5484 1.5679 0.7545 0.025 Uiso 1 1 calc R
C14 C 0.4020(2) 1.43223(19) 0.78146(17) 0.0185(5) Uani 1 1 d .
C15 C 0.1690(2) 1.39290(19) 0.69214(17) 0.0193(5) Uani 1 1 d .
C16 C 0.2059(3) 1.48479(19) 0.64742(18) 0.0217(5) Uani 1 1 d .
H16A H 0.1315 1.5022 0.6014 0.026 Uiso 1 1 calc R
C17 C 0.1197(3) 1.22330(18) 1.09952(17) 0.0196(5) Uani 1 1 d .
C18 C 0.0441(3) 1.24573(19) 1.18401(18) 0.0221(5) Uani 1 1 d .
H18A H 0.1010 1.2751 1.2495 0.027 Uiso 1 1 calc R
C19 C -0.1831(3) 1.1853(2) 1.07996(18) 0.0248(5) Uani 1 1 d .
H19A H -0.2920 1.1712 1.0697 0.030 Uiso 1 1 calc R
C20 C -0.1031(3) 1.16340(19) 0.99801(18) 0.0208(5) Uani 1 1 d .
C21 C 0.4301(3) 0.86697(19) 0.72344(17) 0.0201(5) Uani 1 1 d .
H21A H 0.5229 0.8496 0.7489 0.024 Uiso 1 1 calc R
C22 C 0.3854(2) 0.96032(18) 0.76989(17) 0.0184(5) Uani 1 1 d .
C23 C 0.1707(2) 0.92048(19) 0.66005(17) 0.0186(5) Uani 1 1 d .
C24 C 0.2098(3) 0.82595(19) 0.60882(17) 0.0198(5) Uani 1 1 d .
H24A H 0.1444 0.7801 0.5515 0.024 Uiso 1 1 calc R
N01 N 0.6853(2) 0.68837(17) 0.55767(15) 0.0245(4) Uani 1 1 d .
N02 N 0.2490(2) 0.58610(18) 0.37940(15) 0.0253(5) Uani 1 1 d .
O01 O 0.5825(2) 0.6350(2) 0.48614(15) 0.0486(6) Uani 1 1 d .
O02 O 0.8207(2) 0.70625(18) 0.55108(15) 0.0398(5) Uani 1 1 d .
O03 O 0.63070(19) 0.72251(16) 0.63891(13) 0.0320(4) Uani 1 1 d .
O04 O 0.3277(2) 0.6609(2) 0.34883(17) 0.0504(6) Uani 1 1 d .
O05 O 0.1779(3) 0.50075(18) 0.32536(17) 0.0523(6) Uani 1 1 d .
O06 O 0.2357(2) 0.59896(17) 0.47701(13) 0.0363(5) Uani 1 1 d .
C01 C 1.0286(3) 0.5288(2) 0.9072(2) 0.0301(6) Uani 1 1 d .
H01A H 1.0486 0.5484 0.8434 0.036 Uiso 1 1 calc R
C02 C 0.8796(3) 0.4881(2) 0.9236(2) 0.0306(6) Uani 1 1 d .
H02A H 0.7971 0.4802 0.8714 0.037 Uiso 1 1 calc R
C03 C 0.8515(3) 0.4590(2) 1.0165(2) 0.0317(6) Uani 1 1 d .
H03A H 0.7494 0.4306 1.0279 0.038 Uiso 1 1 calc R
C04 C 0.5334(3) 0.9059(3) 0.4450(2) 0.0376(7) Uani 1 1 d .
H04A H 0.5559 0.8412 0.4070 0.045 Uiso 1 1 calc R
C05 C 0.3979(3) 0.9375(3) 0.4185(2) 0.0410(7) Uani 1 1 d .
H05A H 0.3276 0.8941 0.3623 0.049 Uiso 1 1 calc R
C06 C 0.3644(3) 1.0314(3) 0.4731(2) 0.0397(7) Uani 1 1 d .
H06A H 0.2716 1.0528 0.4544 0.048 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
O06 Cu1 O03 163.29(7) . .
O06 Cu1 N1 99.23(8) . .
O03 Cu1 N1 94.31(7) . .
O06 Cu1 O01 100.34(8) . .
O03 Cu1 O01 62.95(7) . .
N1 Cu1 O01 138.18(9) . .
O06 Cu1 N3 90.28(8) . 1_545
O03 Cu1 N3 96.46(8) . 1_545
N1 Cu1 N3 102.04(7) . 1_545
O01 Cu1 N3 114.41(9) . 1_545
O06 Cu1 N01 131.69(7) . .
O03 Cu1 N01 31.63(7) . .
N1 Cu1 N01 117.79(7) . .
O01 Cu1 N01 31.39(7) . .
N3 Cu1 N01 109.43(7) 1_545 .
C14 O1 C1 116.76(17) . .
C17 O2 C5 115.82(17) . .
C20 O3 C9 116.80(17) . .
C15 O4 C11 116.69(17) . .
C22 O5 C3 117.70(17) . .
C23 O6 C7 115.69(17) . .
C24 N1 C21 119.4(2) . .
C24 N1 Cu1 122.50(15) . .
C21 N1 Cu1 118.09(15) . .
C23 N2 C22 115.6(2) . .
C16 N3 C13 118.7(2) . .
C16 N3 Cu1 117.32(15) . 1_565
C13 N3 Cu1 122.93(15) . 1_565
C14 N4 C15 115.7(2) . .
C19 N5 C18 117.8(2) . .
C20 N6 C17 115.4(2) . .
C2 C1 C6 122.2(2) . .
C2 C1 O1 119.3(2) . .
C6 C1 O1 118.5(2) . .
C1 C2 C3 117.5(2) . .
C1 C2 H2A 121.3 . .
C3 C2 H2A 121.3 . .
C4 C3 C2 122.7(2) . .
C4 C3 O5 117.9(2) . .
C2 C3 O5 119.3(2) . .
C3 C4 C5 117.3(2) . .
C3 C4 H4A 121.4 . .
C5 C4 H4A 121.4 . .
C6 C5 C4 122.4(2) . .
C6 C5 O2 118.2(2) . .
C4 C5 O2 119.4(2) . .
C5 C6 C1 117.9(2) . .
C5 C6 H6A 121.0 . .
C1 C6 H6A 121.0 . .
C12 C7 C8 122.9(2) . .
C12 C7 O6 118.2(2) . .
C8 C7 O6 118.8(2) . .
C9 C8 C7 117.3(2) . .
C9 C8 H8A 121.4 . .
C7 C8 H8A 121.4 . .
C8 C9 C10 122.5(2) . .
C8 C9 O3 118.7(2) . .
C10 C9 O3 118.8(2) . .
C11 C10 C9 117.6(2) . .
C11 C10 H10A 121.2 . .
C9 C10 H10A 121.2 . .
C10 C11 C12 122.3(2) . .
C10 C11 O4 119.1(2) . .
C12 C11 O4 118.5(2) . .
C7 C12 C11 117.4(2) . .
C7 C12 H12A 121.3 . .
C11 C12 H12A 121.3 . .
N3 C13 C14 119.1(2) . .
N3 C13 H13A 120.4 . .
C14 C13 H13A 120.4 . .
N4 C14 O1 118.6(2) . .
N4 C14 C13 123.6(2) . .
O1 C14 C13 117.8(2) . .
N4 C15 O4 119.1(2) . .
N4 C15 C16 123.4(2) . .
O4 C15 C16 117.5(2) . .
N3 C16 C15 119.4(2) . .
N3 C16 H16A 120.3 . .
C15 C16 H16A 120.3 . .
N6 C17 O2 118.3(2) . .
N6 C17 C18 123.4(2) . .
O2 C17 C18 118.3(2) . .
N5 C18 C17 119.9(2) . .
N5 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
N5 C19 C20 120.4(2) . .
N5 C19 H19A 119.8 . .
C20 C19 H19A 119.8 . .
N6 C20 O3 119.0(2) . .
N6 C20 C19 123.2(2) . .
O3 C20 C19 117.8(2) . .
N1 C21 C22 119.1(2) . .
N1 C21 H21A 120.5 . .
C22 C21 H21A 120.5 . .
N2 C22 O5 119.7(2) . .
N2 C22 C21 123.5(2) . .
O5 C22 C21 116.8(2) . .
N2 C23 O6 118.5(2) . .
N2 C23 C24 123.9(2) . .
O6 C23 C24 117.6(2) . .
N1 C24 C23 118.5(2) . .
N1 C24 H24A 120.8 . .
C23 C24 H24A 120.8 . .
O02 N01 O01 124.5(2) . .
O02 N01 O03 122.7(2) . .
O01 N01 O03 112.82(19) . .
O02 N01 Cu1 175.64(18) . .
O01 N01 Cu1 57.47(11) . .
O03 N01 Cu1 55.50(11) . .
O04 N02 O05 124.5(2) . .
O04 N02 O06 118.2(2) . .
O05 N02 O06 117.3(2) . .
N01 O01 Cu1 91.13(13) . .
N01 O03 Cu1 92.87(13) . .
N02 O06 Cu1 118.62(14) . .
C03 C01 C02 120.1(3) 2_767 .
C03 C01 H01A 119.9 2_767 .
C02 C01 H01A 119.9 . .
C01 C02 C03 119.6(2) . .
C01 C02 H02A 120.2 . .
C03 C02 H02A 120.2 . .
C01 C03 C02 120.2(2) 2_767 .
C01 C03 H03A 119.9 2_767 .
C02 C03 H03A 119.9 . .
C06 C04 C05 119.8(3) 2_676 .
C06 C04 H04A 120.1 2_676 .
C05 C04 H04A 120.1 . .
C06 C05 C04 120.5(3) . .
C06 C05 H05A 119.7 . .
C04 C05 H05A 119.7 . .
C05 C06 C04 119.7(3) . 2_676
C05 C06 H06A 120.2 . .
C04 C06 H06A 120.2 2_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O06 1.9094(17) .
Cu1 O03 2.0036(17) .
Cu1 N1 2.0305(19) .
Cu1 O01 2.0476(18) .
Cu1 N3 2.1670(19) 1_545
Cu1 N01 2.428(2) .
O1 C14 1.367(3) .
O1 C1 1.402(3) .
O2 C17 1.371(3) .
O2 C5 1.406(3) .
O3 C20 1.367(3) .
O3 C9 1.404(3) .
O4 C15 1.358(3) .
O4 C11 1.395(3) .
O5 C22 1.362(3) .
O5 C3 1.406(3) .
O6 C23 1.360(3) .
O6 C7 1.411(3) .
N1 C24 1.333(3) .
N1 C21 1.339(3) .
N2 C23 1.318(3) .
N2 C22 1.322(3) .
N3 C16 1.337(3) .
N3 C13 1.338(3) .
N3 Cu1 2.1669(19) 1_565
N4 C14 1.318(3) .
N4 C15 1.322(3) .
N5 C19 1.332(3) .
N5 C18 1.332(3) .
N6 C20 1.321(3) .
N6 C17 1.321(3) .
C1 C2 1.380(3) .
C1 C6 1.384(3) .
C2 C3 1.383(3) .
C2 H2A 0.9500 .
C3 C4 1.381(3) .
C4 C5 1.384(3) .
C4 H4A 0.9500 .
C5 C6 1.375(3) .
C6 H6A 0.9500 .
C7 C12 1.371(3) .
C7 C8 1.379(3) .
C8 C9 1.377(3) .
C8 H8A 0.9500 .
C9 C10 1.380(3) .
C10 C11 1.378(3) .
C10 H10A 0.9500 .
C11 C12 1.382(3) .
C12 H12A 0.9500 .
C13 C14 1.388(3) .
C13 H13A 0.9500 .
C15 C16 1.385(3) .
C16 H16A 0.9500 .
C17 C18 1.386(3) .
C18 H18A 0.9500 .
C19 C20 1.381(3) .
C19 H19A 0.9500 .
C21 C22 1.381(3) .
C21 H21A 0.9500 .
C23 C24 1.391(3) .
C24 H24A 0.9500 .
N01 O02 1.204(3) .
N01 O01 1.265(3) .
N01 O03 1.275(3) .
N02 O04 1.211(3) .
N02 O05 1.211(3) .
N02 O06 1.308(3) .
C01 C03 1.383(4) 2_767
C01 C02 1.384(4) .
C01 H01A 0.9500 .
C02 C03 1.384(4) .
C02 H02A 0.9500 .
C03 C01 1.383(4) 2_767
C03 H03A 0.9500 .
C04 C06 1.382(4) 2_676
C04 C05 1.386(4) .
C04 H04A 0.9500 .
C05 C06 1.379(4) .
C05 H05A 0.9500 .
C06 C04 1.382(4) 2_676
C06 H06A 0.9500 .
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
O06 Cu1 N1 C24 -7.25(18) . .
O03 Cu1 N1 C24 162.93(17) . .
O01 Cu1 N1 C24 109.78(18) . .
N3 Cu1 N1 C24 -99.52(18) 1_545 .
N01 Cu1 N1 C24 140.68(16) . .
O06 Cu1 N1 C21 173.43(16) . .
O03 Cu1 N1 C21 -16.39(17) . .
O01 Cu1 N1 C21 -69.5(2) . .
N3 Cu1 N1 C21 81.16(17) 1_545 .
N01 Cu1 N1 C21 -38.64(18) . .
C14 O1 C1 C2 91.7(2) . .
C14 O1 C1 C6 -91.2(2) . .
C6 C1 C2 C3 1.2(3) . .
O1 C1 C2 C3 178.12(18) . .
C1 C2 C3 C4 -1.2(3) . .
C1 C2 C3 O5 -177.71(18) . .
C22 O5 C3 C4 101.4(2) . .
C22 O5 C3 C2 -81.9(3) . .
C2 C3 C4 C5 0.8(3) . .
O5 C3 C4 C5 177.39(18) . .
C3 C4 C5 C6 -0.4(3) . .
C3 C4 C5 O2 179.99(18) . .
C17 O2 C5 C6 90.8(2) . .
C17 O2 C5 C4 -89.6(2) . .
C4 C5 C6 C1 0.4(3) . .
O2 C5 C6 C1 -179.97(18) . .
C2 C1 C6 C5 -0.8(3) . .
O1 C1 C6 C5 -177.79(18) . .
C23 O6 C7 C12 97.0(2) . .
C23 O6 C7 C8 -84.4(3) . .
C12 C7 C8 C9 -1.3(3) . .
O6 C7 C8 C9 -179.79(18) . .
C7 C8 C9 C10 0.8(3) . .
C7 C8 C9 O3 178.07(19) . .
C20 O3 C9 C8 108.0(2) . .
C20 O3 C9 C10 -74.7(3) . .
C8 C9 C10 C11 -0.2(3) . .
O3 C9 C10 C11 -177.43(18) . .
C9 C10 C11 C12 0.0(3) . .
C9 C10 C11 O4 177.06(18) . .
C15 O4 C11 C10 96.7(2) . .
C15 O4 C11 C12 -86.1(2) . .
C8 C7 C12 C11 1.1(3) . .
O6 C7 C12 C11 179.62(18) . .
C10 C11 C12 C7 -0.4(3) . .
O4 C11 C12 C7 -177.54(19) . .
C16 N3 C13 C14 0.3(3) . .
Cu1 N3 C13 C14 -167.44(16) 1_565 .
C15 N4 C14 O1 177.84(19) . .
C15 N4 C14 C13 -2.1(3) . .
C1 O1 C14 N4 2.0(3) . .
C1 O1 C14 C13 -178.1(2) . .
N3 C13 C14 N4 1.9(3) . .
N3 C13 C14 O1 -178.02(19) . .
C14 N4 C15 O4 179.53(19) . .
C14 N4 C15 C16 0.2(3) . .
C11 O4 C15 N4 -6.7(3) . .
C11 O4 C15 C16 172.7(2) . .
C13 N3 C16 C15 -2.1(3) . .
Cu1 N3 C16 C15 166.34(17) 1_565 .
N4 C15 C16 N3 2.0(3) . .
O4 C15 C16 N3 -177.4(2) . .
C20 N6 C17 O2 179.57(19) . .
C20 N6 C17 C18 0.8(3) . .
C5 O2 C17 N6 9.4(3) . .
C5 O2 C17 C18 -171.7(2) . .
C19 N5 C18 C17 -0.2(3) . .
N6 C17 C18 N5 -0.6(4) . .
O2 C17 C18 N5 -179.3(2) . .
C18 N5 C19 C20 0.7(4) . .
C17 N6 C20 O3 -178.1(2) . .
C17 N6 C20 C19 -0.3(3) . .
C9 O3 C20 N6 -19.8(3) . .
C9 O3 C20 C19 162.3(2) . .
N5 C19 C20 N6 -0.5(4) . .
N5 C19 C20 O3 177.4(2) . .
C24 N1 C21 C22 -1.3(3) . .
Cu1 N1 C21 C22 177.99(16) . .
C23 N2 C22 O5 -179.00(19) . .
C23 N2 C22 C21 0.8(3) . .
C3 O5 C22 N2 -6.8(3) . .
C3 O5 C22 C21 173.3(2) . .
N1 C21 C22 N2 0.7(3) . .
N1 C21 C22 O5 -179.47(19) . .
C22 N2 C23 O6 179.46(19) . .
C22 N2 C23 C24 -1.7(3) . .
C7 O6 C23 N2 -2.6(3) . .
C7 O6 C23 C24 178.5(2) . .
C21 N1 C24 C23 0.5(3) . .
Cu1 N1 C24 C23 -178.80(16) . .
N2 C23 C24 N1 1.1(3) . .
O6 C23 C24 N1 179.94(19) . .
O06 Cu1 N01 O02 114(2) . .
O03 Cu1 N01 O02 -67(2) . .
N1 Cu1 N01 O02 -21(2) . .
O01 Cu1 N01 O02 118(2) . .
N3 Cu1 N01 O02 -137(2) 1_545 .
O06 Cu1 N01 O01 -3.5(2) . .
O03 Cu1 N01 O01 175.1(2) . .
N1 Cu1 N01 O01 -138.90(16) . .
N3 Cu1 N01 O01 105.26(17) 1_545 .
O06 Cu1 N01 O03 -178.52(14) . .
N1 Cu1 N01 O03 46.05(16) . .
O01 Cu1 N01 O03 -175.1(2) . .
N3 Cu1 N01 O03 -69.79(15) 1_545 .
O02 N01 O01 Cu1 -175.3(2) . .
O03 N01 O01 Cu1 4.4(2) . .
O06 Cu1 O01 N01 177.36(15) . .
O03 Cu1 O01 N01 -2.91(14) . .
N1 Cu1 O01 N01 60.7(2) . .
N3 Cu1 O01 N01 -87.57(16) 1_545 .
O02 N01 O03 Cu1 175.2(2) . .
O01 N01 O03 Cu1 -4.5(2) . .
O06 Cu1 O03 N01 3.8(4) . .
N1 Cu1 O03 N01 -140.30(14) . .
O01 Cu1 O03 N01 2.89(14) . .
N3 Cu1 O03 N01 117.05(14) 1_545 .
O04 N02 O06 Cu1 -41.0(3) . .
O05 N02 O06 Cu1 140.93(19) . .
O03 Cu1 O06 N02 -25.0(4) . .
N1 Cu1 O06 N02 118.76(18) . .
O01 Cu1 O06 N02 -24.1(2) . .
N3 Cu1 O06 N02 -139.00(18) 1_545 .
N01 Cu1 O06 N02 -22.3(2) . .
C03 C01 C02 C03 -0.4(4) 2_767 .
C01 C02 C03 C01 0.4(4) . 2_767
C06 C04 C05 C06 0.2(5) 2_676 .
C04 C05 C06 C04 -0.2(5) . 2_676
