#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:57:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179460 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/57/4335722.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_4335722
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 N8 O12 Zn, C6 H6'
_chemical_formula_sum            'C30 H18 N8 O12 Zn'
_chemical_formula_weight         747.89
_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                100.8000(10)
_cell_angle_beta                 93.5000(10)
_cell_angle_gamma                100.6030(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8580(2)
_cell_length_b                   12.6024(3)
_cell_length_c                   13.4956(4)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1447.45(6)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0157
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16851
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.8424
_exptl_absorpt_correction_T_min  0.6086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5056
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0241
_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)+(0.0307P)²+1.0596P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                4827
_reflns_number_total             5056
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400751n_8.cif
_cod_data_source_block           z
_cod_database_code               4335722
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
Zn1 Zn 0.39933(2) 0.650171(15) 0.573309(14) 0.01763(7) Uani 1 1 d .
O1 O 0.03806(14) 0.94190(10) 0.62340(9) 0.0248(3) Uani 1 1 d .
O2 O 0.48341(14) 1.02196(10) 0.84328(10) 0.0235(3) Uani 1 1 d .
O3 O 0.27326(14) 1.24255(11) 1.10882(9) 0.0239(3) Uani 1 1 d .
O4 O -0.19018(14) 1.11619(11) 0.90679(9) 0.0256(3) Uani 1 1 d .
O5 O 0.50267(14) 1.40677(10) 0.84768(9) 0.0226(3) Uani 1 1 d .
O6 O 0.02119(13) 1.32433(10) 0.66743(9) 0.0222(3) Uani 1 1 d .
N1 N 0.25937(16) 0.98566(11) 0.73431(11) 0.0185(3) Uani 1 1 d .
N2 N 0.34245(16) 0.79420(11) 0.63916(10) 0.0176(3) Uani 1 1 d .
N3 N 0.34221(16) 1.54001(11) 0.66678(11) 0.0185(3) Uani 1 1 d .
N4 N 0.26171(16) 1.36141(11) 0.75756(11) 0.0185(3) Uani 1 1 d .
N5 N -0.11625(18) 1.22622(13) 1.17347(11) 0.0252(3) Uani 1 1 d .
N6 N 0.04425(16) 1.18052(12) 1.00492(11) 0.0202(3) Uani 1 1 d .
N7 N 0.69423(17) 0.69068(12) 0.56483(11) 0.0227(3) Uani 1 1 d .
N8 N 0.24603(17) 0.57930(13) 0.37507(11) 0.0244(3) Uani 1 1 d .
O7 O 0.82766(15) 0.71065(12) 0.54533(11) 0.0364(3) Uani 1 1 d .
O8 O 0.58451(15) 0.64659(12) 0.49407(10) 0.0339(3) Uani 1 1 d .
O9 O 0.65445(15) 0.71136(12) 0.65239(10) 0.0312(3) Uani 1 1 d .
O10 O 0.1812(2) 0.50179(14) 0.30929(12) 0.0523(5) Uani 1 1 d .
O11 O 0.32147(18) 0.66350(15) 0.35845(14) 0.0511(4) Uani 1 1 d .
O12 O 0.23081(17) 0.57136(14) 0.46730(10) 0.0438(4) Uani 1 1 d .
C1 C 0.17216(19) 0.91734(14) 0.65725(13) 0.0185(3) Uani 1 1 d .
C2 C 0.21122(19) 0.82062(14) 0.60711(13) 0.0189(3) Uani 1 1 d .
H2A H 0.1458 0.7743 0.5512 0.023 Uiso 1 1 calc R
C3 C 0.43238(19) 0.86071(14) 0.71848(13) 0.0192(3) Uani 1 1 d .
H3A H 0.5251 0.8425 0.7431 0.023 Uiso 1 1 calc R
C4 C 0.38761(19) 0.95665(14) 0.76390(13) 0.0180(3) Uani 1 1 d .
C5 C 0.16460(19) 1.38745(14) 0.69261(13) 0.0181(3) Uani 1 1 d .
C6 C 0.20083(19) 1.47758(14) 0.64704(13) 0.0197(3) Uani 1 1 d .
H6A H 0.1259 1.4946 0.6023 0.024 Uiso 1 1 calc R
C7 C 0.44429(19) 1.51696(14) 0.73348(13) 0.0197(3) Uani 1 1 d .
H7A H 0.5451 1.5612 0.7496 0.024 Uiso 1 1 calc R
C8 C 0.39925(19) 1.42714(14) 0.77837(13) 0.0181(3) Uani 1 1 d .
C9 C -0.10831(19) 1.16258(14) 0.99864(13) 0.0203(4) Uani 1 1 d .
C10 C 0.11528(19) 1.22243(14) 1.09686(13) 0.0190(3) Uani 1 1 d .
C11 C 0.0375(2) 1.24550(14) 1.18223(13) 0.0222(4) Uani 1 1 d .
H11A H 0.0939 1.2750 1.2467 0.027 Uiso 1 1 calc R
C12 C -0.1901(2) 1.18518(15) 1.08128(14) 0.0237(4) Uani 1 1 d .
H12A H -0.2997 1.1714 1.0724 0.028 Uiso 1 1 calc R
C13 C -0.00160(19) 1.03655(14) 0.68016(13) 0.0193(3) Uani 1 1 d .
C14 C 0.03275(18) 1.13358(14) 0.64570(13) 0.0187(3) Uani 1 1 d .
H14A H 0.0818 1.1372 0.5854 0.022 Uiso 1 1 calc R
C15 C -0.00730(18) 1.22551(13) 0.70272(13) 0.0178(3) Uani 1 1 d .
C16 C -0.07937(18) 1.22279(14) 0.79002(13) 0.0192(3) Uani 1 1 d .
H16A H -0.1059 1.2871 0.8278 0.023 Uiso 1 1 calc R
C17 C -0.11176(18) 1.12298(14) 0.82062(13) 0.0192(3) Uani 1 1 d .
C18 C -0.07508(19) 1.02846(14) 0.76657(13) 0.0203(4) Uani 1 1 d .
H18A H -0.0995 0.9602 0.7880 0.024 Uiso 1 1 calc R
C19 C 0.44683(18) 1.12353(14) 0.88643(13) 0.0187(3) Uani 1 1 d .
C20 C 0.37579(19) 1.13038(14) 0.97494(13) 0.0196(4) Uani 1 1 d .
H20A H 0.3486 1.0678 1.0048 0.024 Uiso 1 1 calc R
C21 C 0.34560(18) 1.23162(14) 1.01858(12) 0.0184(3) Uani 1 1 d .
C22 C 0.38601(19) 1.32413(14) 0.97754(13) 0.0188(3) Uani 1 1 d .
H22A H 0.3658 1.3933 1.0092 0.023 Uiso 1 1 calc R
C23 C 0.45672(18) 1.31251(14) 0.88890(13) 0.0180(3) Uani 1 1 d .
C24 C 0.48964(18) 1.21360(14) 0.84189(13) 0.0191(3) Uani 1 1 d .
H24A H 0.5397 1.2075 0.7814 0.023 Uiso 1 1 calc R
C01 C -0.0273(2) 0.47046(16) 0.09180(15) 0.0302(4) Uani 1 1 d .
H01A H -0.0462 0.4501 0.1549 0.036 Uiso 1 1 calc R
C02 C 0.1217(2) 0.51294(16) 0.07365(16) 0.0313(4) Uani 1 1 d .
H02A H 0.2051 0.5218 0.1241 0.038 Uiso 1 1 calc R
C03 C 0.1483(2) 0.54239(16) -0.01840(16) 0.0324(4) Uani 1 1 d .
H03A H 0.2504 0.5716 -0.0311 0.039 Uiso 1 1 calc R
C04 C 0.3668(2) 1.03472(18) 0.47243(15) 0.0350(5) Uani 1 1 d .
H04A H 0.2755 1.0584 0.4533 0.042 Uiso 1 1 calc R
C05 C 0.3979(2) 0.93715(19) 0.42019(15) 0.0359(5) Uani 1 1 d .
H05A H 0.3275 0.8938 0.3653 0.043 Uiso 1 1 calc R
C06 C 0.5311(2) 0.90203(18) 0.44726(15) 0.0343(5) Uani 1 1 d .
H06A H 0.5523 0.8350 0.4110 0.041 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'
Zn Zn 0.2839 1.4301 '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
O12 Zn1 O8 100.86(6) . .
O12 Zn1 N2 107.75(7) . .
O8 Zn1 N2 121.88(6) . .
O12 Zn1 N3 92.96(6) . 1_545
O8 Zn1 N3 120.82(6) . 1_545
N2 Zn1 N3 107.16(5) . 1_545
O12 Zn1 O9 157.91(6) . .
O8 Zn1 O9 58.07(5) . .
N2 Zn1 O9 90.65(5) . .
N3 Zn1 O9 93.11(5) 1_545 .
C1 O1 C13 115.50(13) . .
C4 O2 C19 117.94(13) . .
C10 O3 C21 115.55(13) . .
C9 O4 C17 117.00(13) . .
C8 O5 C23 116.68(13) . .
C5 O6 C15 116.42(13) . .
C4 N1 C1 116.14(15) . .
C2 N2 C3 119.48(14) . .
C2 N2 Zn1 120.24(11) . .
C3 N2 Zn1 120.19(11) . .
C6 N3 C7 119.34(15) . .
C6 N3 Zn1 115.93(11) . 1_565
C7 N3 Zn1 123.91(11) . 1_565
C5 N4 C8 116.08(15) . .
C11 N5 C12 117.80(15) . .
C10 N6 C9 115.38(15) . .
O7 N7 O9 123.37(16) . .
O7 N7 O8 120.74(15) . .
O9 N7 O8 115.89(14) . .
O11 N8 O10 124.04(18) . .
O11 N8 O12 118.52(16) . .
O10 N8 O12 117.43(17) . .
N7 O8 Zn1 100.57(10) . .
N7 O9 Zn1 85.25(10) . .
N8 O12 Zn1 118.90(11) . .
N1 C1 O1 119.16(15) . .
N1 C1 C2 123.39(16) . .
O1 C1 C2 117.45(15) . .
N2 C2 C1 118.69(15) . .
N2 C2 H2A 120.7 . .
C1 C2 H2A 120.7 . .
N2 C3 C4 118.78(15) . .
N2 C3 H3A 120.6 . .
C4 C3 H3A 120.6 . .
N1 C4 O2 119.92(15) . .
N1 C4 C3 123.50(16) . .
O2 C4 C3 116.58(15) . .
N4 C5 O6 119.71(15) . .
N4 C5 C6 123.39(15) . .
O6 C5 C6 116.90(15) . .
N3 C6 C5 119.11(16) . .
N3 C6 H6A 120.4 . .
C5 C6 H6A 120.4 . .
N3 C7 C8 118.57(15) . .
N3 C7 H7A 120.7 . .
C8 C7 H7A 120.7 . .
N4 C8 O5 118.80(15) . .
N4 C8 C7 123.43(16) . .
O5 C8 C7 117.76(15) . .
N6 C9 O4 118.90(15) . .
N6 C9 C12 123.24(16) . .
O4 C9 C12 117.83(15) . .
N6 C10 O3 118.41(15) . .
N6 C10 C11 123.29(16) . .
O3 C10 C11 118.29(15) . .
N5 C11 C10 119.89(16) . .
N5 C11 H11A 120.1 . .
C10 C11 H11A 120.1 . .
N5 C12 C9 120.38(16) . .
N5 C12 H12A 119.8 . .
C9 C12 H12A 119.8 . .
C14 C13 C18 122.75(16) . .
C14 C13 O1 118.08(15) . .
C18 C13 O1 119.15(16) . .
C13 C14 C15 117.06(16) . .
C13 C14 H14A 121.5 . .
C15 C14 H14A 121.5 . .
C16 C15 C14 122.83(16) . .
C16 C15 O6 118.88(15) . .
C14 C15 O6 118.23(15) . .
C15 C16 C17 117.54(16) . .
C15 C16 H16A 121.2 . .
C17 C16 H16A 121.2 . .
C18 C17 C16 122.18(16) . .
C18 C17 O4 118.67(16) . .
C16 C17 O4 119.10(15) . .
C17 C18 C13 117.62(16) . .
C17 C18 H18A 121.2 . .
C13 C18 H18A 121.2 . .
C20 C19 C24 122.56(16) . .
C20 C19 O2 118.07(15) . .
C24 C19 O2 119.29(15) . .
C19 C20 C21 117.52(16) . .
C19 C20 H20A 121.2 . .
C21 C20 H20A 121.2 . .
C22 C21 C20 122.34(16) . .
C22 C21 O3 118.11(15) . .
C20 C21 O3 119.54(15) . .
C23 C22 C21 117.67(15) . .
C23 C22 H22A 121.2 . .
C21 C22 H22A 121.2 . .
C24 C23 C22 122.57(16) . .
C24 C23 O5 119.04(15) . .
C22 C23 O5 118.34(15) . .
C23 C24 C19 117.33(16) . .
C23 C24 H24A 121.3 . .
C19 C24 H24A 121.3 . .
C03 C01 C02 120.11(19) 2_565 .
C03 C01 H01A 119.9 2_565 .
C02 C01 H01A 119.9 . .
C03 C02 C01 119.62(19) . .
C03 C02 H02A 120.2 . .
C01 C02 H02A 120.2 . .
C01 C03 C02 120.27(19) 2_565 .
C01 C03 H03A 119.9 2_565 .
C02 C03 H03A 119.9 . .
C05 C04 C06 120.0(2) . 2_676
C05 C04 H04A 120.0 . .
C06 C04 H04A 120.0 2_676 .
C04 C05 C06 120.48(19) . .
C04 C05 H05A 119.8 . .
C06 C05 H05A 119.8 . .
C04 C06 C05 119.6(2) 2_676 .
C04 C06 H06A 120.2 2_676 .
C05 C06 H06A 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O12 1.9806(14) .
Zn1 O8 2.0149(14) .
Zn1 N2 2.0310(14) .
Zn1 N3 2.0617(14) 1_545
Zn1 O9 2.3656(14) .
O1 C1 1.356(2) .
O1 C13 1.406(2) .
O2 C4 1.359(2) .
O2 C19 1.407(2) .
O3 C10 1.369(2) .
O3 C21 1.406(2) .
O4 C9 1.366(2) .
O4 C17 1.399(2) .
O5 C8 1.361(2) .
O5 C23 1.408(2) .
O6 C5 1.355(2) .
O6 C15 1.401(2) .
N1 C4 1.317(2) .
N1 C1 1.320(2) .
N2 C2 1.336(2) .
N2 C3 1.341(2) .
N3 C6 1.333(2) .
N3 C7 1.344(2) .
N3 Zn1 2.0617(14) 1_565
N4 C5 1.317(2) .
N4 C8 1.323(2) .
N5 C11 1.333(2) .
N5 C12 1.334(2) .
N6 C10 1.323(2) .
N6 C9 1.323(2) .
N7 O7 1.218(2) .
N7 O9 1.248(2) .
N7 O8 1.286(2) .
N8 O11 1.212(2) .
N8 O10 1.216(2) .
N8 O12 1.280(2) .
C1 C2 1.392(2) .
C2 H2A 0.9500 .
C3 C4 1.387(2) .
C3 H3A 0.9500 .
C5 C6 1.387(2) .
C6 H6A 0.9500 .
C7 C8 1.388(2) .
C7 H7A 0.9500 .
C9 C12 1.380(3) .
C10 C11 1.390(2) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.377(2) .
C13 C18 1.381(3) .
C14 C15 1.382(2) .
C14 H14A 0.9500 .
C15 C16 1.377(2) .
C16 C17 1.383(3) .
C16 H16A 0.9500 .
C17 C18 1.379(2) .
C18 H18A 0.9500 .
C19 C20 1.380(2) .
C19 C24 1.385(2) .
C20 C21 1.382(2) .
C20 H20A 0.9500 .
C21 C22 1.381(2) .
C22 C23 1.380(2) .
C22 H22A 0.9500 .
C23 C24 1.379(2) .
C24 H24A 0.9500 .
C01 C03 1.380(3) 2_565
C01 C02 1.384(3) .
C01 H01A 0.9500 .
C02 C03 1.383(3) .
C02 H02A 0.9500 .
C03 C01 1.380(3) 2_565
C03 H03A 0.9500 .
C04 C05 1.381(3) .
C04 C06 1.385(3) 2_676
C04 H04A 0.9500 .
C05 C06 1.386(3) .
C05 H05A 0.9500 .
C06 C04 1.385(3) 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
O12 Zn1 N2 C2 -0.96(14) . .
O8 Zn1 N2 C2 114.64(12) . .
N3 Zn1 N2 C2 -99.92(13) 1_545 .
O9 Zn1 N2 C2 166.62(13) . .
O12 Zn1 N2 C3 175.60(12) . .
O8 Zn1 N2 C3 -68.80(14) . .
N3 Zn1 N2 C3 76.64(13) 1_545 .
O9 Zn1 N2 C3 -16.81(12) . .
O7 N7 O8 Zn1 -174.71(14) . .
O9 N7 O8 Zn1 4.92(17) . .
O12 Zn1 O8 N7 -175.56(11) . .
N2 Zn1 O8 N7 65.43(12) . .
N3 Zn1 O8 N7 -75.44(12) 1_545 .
O9 Zn1 O8 N7 -2.75(9) . .
O7 N7 O9 Zn1 175.48(16) . .
O8 N7 O9 Zn1 -4.13(14) . .
O12 Zn1 O9 N7 21.8(2) . .
O8 Zn1 O9 N7 2.79(9) . .
N2 Zn1 O9 N7 -125.18(10) . .
N3 Zn1 O9 N7 127.60(10) 1_545 .
O11 N8 O12 Zn1 -30.5(2) . .
O10 N8 O12 Zn1 150.59(14) . .
O8 Zn1 O12 N8 -31.25(16) . .
N2 Zn1 O12 N8 97.52(15) . .
N3 Zn1 O12 N8 -153.41(15) 1_545 .
O9 Zn1 O12 N8 -47.6(3) . .
C4 N1 C1 O1 179.58(15) . .
C4 N1 C1 C2 -1.2(2) . .
C13 O1 C1 N1 -4.6(2) . .
C13 O1 C1 C2 176.14(15) . .
C3 N2 C2 C1 0.3(2) . .
Zn1 N2 C2 C1 176.86(12) . .
N1 C1 C2 N2 1.0(3) . .
O1 C1 C2 N2 -179.73(15) . .
C2 N2 C3 C4 -1.2(2) . .
Zn1 N2 C3 C4 -177.84(12) . .
C1 N1 C4 O2 -179.48(15) . .
C1 N1 C4 C3 0.1(2) . .
C19 O2 C4 N1 -4.7(2) . .
C19 O2 C4 C3 175.63(15) . .
N2 C3 C4 N1 1.1(3) . .
N2 C3 C4 O2 -179.29(14) . .
C8 N4 C5 O6 -179.87(14) . .
C8 N4 C5 C6 0.2(2) . .
C15 O6 C5 N4 -8.4(2) . .
C15 O6 C5 C6 171.53(15) . .
C7 N3 C6 C5 -2.7(2) . .
Zn1 N3 C6 C5 167.28(12) 1_565 .
N4 C5 C6 N3 2.1(3) . .
O6 C5 C6 N3 -177.77(14) . .
C6 N3 C7 C8 1.1(2) . .
Zn1 N3 C7 C8 -168.05(12) 1_565 .
C5 N4 C8 O5 177.68(14) . .
C5 N4 C8 C7 -2.0(2) . .
C23 O5 C8 N4 3.0(2) . .
C23 O5 C8 C7 -177.35(15) . .
N3 C7 C8 N4 1.4(3) . .
N3 C7 C8 O5 -178.30(14) . .
C10 N6 C9 O4 -177.98(15) . .
C10 N6 C9 C12 -0.1(3) . .
C17 O4 C9 N6 -20.1(2) . .
C17 O4 C9 C12 161.93(16) . .
C9 N6 C10 O3 179.70(15) . .
C9 N6 C10 C11 0.7(2) . .
C21 O3 C10 N6 9.1(2) . .
C21 O3 C10 C11 -171.85(15) . .
C12 N5 C11 C10 -0.2(3) . .
N6 C10 C11 N5 -0.6(3) . .
O3 C10 C11 N5 -179.54(15) . .
C11 N5 C12 C9 0.8(3) . .
N6 C9 C12 N5 -0.6(3) . .
O4 C9 C12 N5 177.22(16) . .
C1 O1 C13 C14 98.01(18) . .
C1 O1 C13 C18 -83.03(19) . .
C18 C13 C14 C15 1.1(2) . .
O1 C13 C14 C15 180.00(14) . .
C13 C14 C15 C16 -0.4(2) . .
C13 C14 C15 O6 -177.70(14) . .
C5 O6 C15 C16 97.35(18) . .
C5 O6 C15 C14 -85.28(18) . .
C14 C15 C16 C17 0.1(2) . .
O6 C15 C16 C17 177.34(14) . .
C15 C16 C17 C18 -0.4(2) . .
C15 C16 C17 O4 -177.58(14) . .
C9 O4 C17 C18 108.45(18) . .
C9 O4 C17 C16 -74.2(2) . .
C16 C17 C18 C13 1.0(2) . .
O4 C17 C18 C13 178.18(14) . .
C14 C13 C18 C17 -1.3(2) . .
O1 C13 C18 C17 179.76(14) . .
C4 O2 C19 C20 100.36(18) . .
C4 O2 C19 C24 -82.75(19) . .
C24 C19 C20 C21 0.9(2) . .
O2 C19 C20 C21 177.67(14) . .
C19 C20 C21 C22 -1.0(2) . .
C19 C20 C21 O3 179.96(14) . .
C10 O3 C21 C22 91.55(18) . .
C10 O3 C21 C20 -89.37(19) . .
C20 C21 C22 C23 1.0(2) . .
O3 C21 C22 C23 -179.91(14) . .
C21 C22 C23 C24 -1.0(2) . .
C21 C22 C23 O5 -178.19(14) . .
C8 O5 C23 C24 90.60(18) . .
C8 O5 C23 C22 -92.09(18) . .
C22 C23 C24 C19 0.9(2) . .
O5 C23 C24 C19 178.06(14) . .
C20 C19 C24 C23 -0.8(2) . .
O2 C19 C24 C23 -177.57(14) . .
C03 C01 C02 C03 0.0(3) 2_565 .
C01 C02 C03 C01 0.0(3) . 2_565
C06 C04 C05 C06 -0.3(3) 2_676 .
C04 C05 C06 C04 0.2(3) . 2_676
