#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/64/4306472.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_4306472
loop_
_publ_author_name
'Ya-Qian Lan'
'Shun-Li Li'
'Jun-Sheng Qin'
'Dong-Ying Du'
'Xin-Long Wang'
'Zhong-Min Su'
'Qiang Fu'
_publ_section_title
;
Self-Assembly of 2D→2D Interpenetrating Coordination Polymers Showing
Polyrotaxane- and Polycatenane-like Motifs: Influence of Various Ligands on
Topological Structural Diversity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10600
_journal_page_last               10610
_journal_paper_doi               10.1021/ic801275w
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C28 H26 N3 O7 Zn'
_chemical_formula_weight         581.89
_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                98.6910(6)
_cell_angle_beta                 98.8260(10)
_cell_angle_gamma                109.2600(10)
_cell_formula_units_Z            2
_cell_length_a                   8.2200(3)
_cell_length_b                   12.4460(5)
_cell_length_c                   13.5470(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.78
_cell_volume                     1262.29(8)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0091
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7818
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.027
_exptl_absorpt_correction_T_max  0.766
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.312
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0271
_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)+(0.0350P)²+0.5589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0703
_reflns_number_gt                5212
_reflns_number_total             5660
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801275w_si_001_4.cif
_cod_data_source_block           4
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               4306472
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.52081(2) 0.391133(14) 0.083678(13) 0.01834(6) Uani 1 1 d . . .
O5 O -0.15269(14) -0.03705(9) -0.43731(8) 0.0230(2) Uani 1 1 d . . .
O7 O -0.82093(16) -0.31993(10) -0.46286(9) 0.0280(3) Uani 1 1 d . . .
O3 O 0.36695(16) 0.32946(10) -0.05265(9) 0.0294(3) Uani 1 1 d . . .
N1 N 0.86679(17) 0.20486(11) 0.05800(10) 0.0212(3) Uani 1 1 d . . .
C9 C 0.9653(2) 0.12881(14) 0.08032(12) 0.0224(3) Uani 1 1 d . . .
H9A H 0.9302 0.0952 0.1373 0.027 Uiso 1 1 calc R . .
H9B H 1.0904 0.1755 0.1009 0.027 Uiso 1 1 calc R . .
C26 C 0.28563(19) 0.35401(13) -0.12733(12) 0.0204(3) Uani 1 1 d . . .
C12 C 0.1679(2) 0.39763(13) 0.26780(12) 0.0210(3) Uani 1 1 d . . .
N3 N 0.59687(18) 0.01668(12) 0.11374(11) 0.0245(3) Uani 1 1 d . . .
O2 O 0.30079(18) 0.50023(12) 0.14820(11) 0.0385(3) Uani 1 1 d . . .
O6 O -0.49037(16) -0.20826(10) -0.50626(9) 0.0299(3) Uani 1 1 d . . .
O4 O 0.29334(15) 0.45417(10) -0.13718(9) 0.0274(3) Uani 1 1 d . . .
C10 C 0.9352(2) 0.03124(14) -0.01040(12) 0.0227(3) Uani 1 1 d . . .
H10A H 0.9506 0.0631 -0.0708 0.027 Uiso 1 1 calc R . .
H10B H 0.8151 -0.0241 -0.0233 0.027 Uiso 1 1 calc R . .
C24 C 0.1605(2) 0.14003(13) -0.20672(12) 0.0211(3) Uani 1 1 d . . .
H24 H 0.2297 0.1285 -0.1512 0.025 Uiso 1 1 calc R . .
C22 C -0.05271(19) 0.06225(13) -0.36639(11) 0.0189(3) Uani 1 1 d . . .
O1 O 0.38420(16) 0.35689(11) 0.18781(9) 0.0294(3) Uani 1 1 d . . .
C23 C 0.0546(2) 0.04628(13) -0.28390(12) 0.0216(3) Uani 1 1 d . . .
H23 H 0.0546 -0.0279 -0.2811 0.026 Uiso 1 1 calc R . .
C15 C -0.0701(2) 0.34904(13) 0.39672(12) 0.0217(3) Uani 1 1 d . . .
C1 C 0.9233(2) 0.29257(14) 0.00656(13) 0.0262(3) Uani 1 1 d . . .
H1 H 1.0197 0.3082 -0.0244 0.031 Uiso 1 1 calc R . .
C25 C 0.1650(2) 0.25258(13) -0.21101(11) 0.0194(3) Uani 1 1 d . . .
N2 N 0.68660(17) 0.30261(11) 0.06334(10) 0.0208(3) Uani 1 1 d . . .
C27 C 0.0578(2) 0.26737(13) -0.29371(12) 0.0214(3) Uani 1 1 d . . .
H27 H 0.0599 0.3418 -0.2973 0.026 Uiso 1 1 calc R . .
C13 C 0.1729(2) 0.32020(14) 0.33211(12) 0.0236(3) Uani 1 1 d . . .
H13 H 0.2561 0.2846 0.3319 0.028 Uiso 1 1 calc R . .
C20 C -0.3910(2) -0.15326(15) -0.57335(12) 0.0262(3) Uani 1 1 d . . .
H20A H -0.4694 -0.1535 -0.6347 0.031 Uiso 1 1 calc R . .
H20B H -0.3154 -0.1945 -0.5930 0.031 Uiso 1 1 calc R . .
C4 C 0.6139(2) 0.12889(13) 0.14296(11) 0.0196(3) Uani 1 1 d . . .
C3 C 0.7221(2) 0.21265(13) 0.09081(11) 0.0190(3) Uani 1 1 d . . .
C28 C -0.0525(2) 0.17330(13) -0.37117(12) 0.0209(3) Uani 1 1 d . . .
H28 H -0.1251 0.1843 -0.4254 0.025 Uiso 1 1 calc R . .
C17 C 0.0415(2) 0.44908(13) 0.26875(12) 0.0223(3) Uani 1 1 d . . .
H17 H 0.0367 0.5005 0.2262 0.027 Uiso 1 1 calc R . .
C19 C -0.5940(2) -0.32721(15) -0.54897(13) 0.0285(4) Uani 1 1 d . . .
H19A H -0.5184 -0.3701 -0.5647 0.034 Uiso 1 1 calc R . .
H19B H -0.6750 -0.3343 -0.6118 0.034 Uiso 1 1 calc R . .
C21 C -0.2813(2) -0.03023(14) -0.51788(12) 0.0236(3) Uani 1 1 d . . .
H21A H -0.2237 0.0138 -0.5642 0.028 Uiso 1 1 calc R . .
H21B H -0.3549 0.0080 -0.4900 0.028 Uiso 1 1 calc R . .
C16 C -0.0784(2) 0.42516(14) 0.33228(13) 0.0232(3) Uani 1 1 d . . .
H16 H -0.1630 0.4597 0.3316 0.028 Uiso 1 1 calc R . .
C14 C 0.0556(2) 0.29600(14) 0.39596(13) 0.0251(3) Uani 1 1 d . . .
H14 H 0.0604 0.2444 0.4384 0.030 Uiso 1 1 calc R . .
C5 C 0.5299(2) 0.16592(14) 0.21566(12) 0.0241(3) Uani 1 1 d . . .
H5 H 0.5491 0.2446 0.2364 0.029 Uiso 1 1 calc R . .
C7 C 0.3920(2) -0.03282(15) 0.22352(14) 0.0287(4) Uani 1 1 d . . .
H7 H 0.3140 -0.0905 0.2477 0.034 Uiso 1 1 calc R . .
C2 C 0.8119(2) 0.35188(14) 0.00952(13) 0.0261(3) Uani 1 1 d . . .
H2 H 0.8185 0.4156 -0.0199 0.031 Uiso 1 1 calc R . .
C11 C 0.2923(2) 0.42319(14) 0.19634(12) 0.0239(3) Uani 1 1 d . . .
C8 C 0.4857(2) -0.06128(14) 0.15359(13) 0.0264(3) Uani 1 1 d . . .
H8 H 0.4705 -0.1394 0.1331 0.032 Uiso 1 1 calc R . .
C6 C 0.4171(2) 0.08333(16) 0.25649(13) 0.0287(4) Uani 1 1 d . . .
H6 H 0.3594 0.1057 0.3052 0.034 Uiso 1 1 calc R . .
C18 C -0.6954(2) -0.37579(14) -0.47209(13) 0.0253(3) Uani 1 1 d . . .
H18A H -0.7556 -0.4595 -0.4951 0.030 Uiso 1 1 calc R . .
H18B H -0.6159 -0.3602 -0.4065 0.030 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
_geom_angle_publ_flag
O1 Zn1 O3 110.33(5) . . ?
O1 Zn1 O4 107.58(5) . 2_665 ?
O3 Zn1 O4 128.00(5) . 2_665 ?
O1 Zn1 N2 116.83(5) . . ?
O3 Zn1 N2 97.07(5) . . ?
O4 Zn1 N2 96.24(5) 2_665 . ?
C22 O5 C21 118.15(12) . . ?
C15 O7 C18 118.65(12) 2_455 . ?
C26 O3 Zn1 145.25(11) . . ?
C3 N1 C1 107.63(13) . . ?
C3 N1 C9 129.07(13) . . ?
C1 N1 C9 122.95(13) . . ?
N1 C9 C10 112.90(13) . . ?
N1 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
O4 C26 O3 126.26(15) . . ?
O4 C26 C25 117.54(14) . . ?
O3 C26 C25 116.18(14) . . ?
C17 C12 C13 118.61(14) . . ?
C17 C12 C11 119.87(14) . . ?
C13 C12 C11 121.50(14) . . ?
C8 N3 C4 116.88(14) . . ?
C20 O6 C19 112.89(12) . . ?
C26 O4 Zn1 132.22(11) . 2_665 ?
C9 C10 C10 110.58(16) . 2_755 ?
C9 C10 H10A 109.5 . . ?
C10 C10 H10A 109.5 2_755 . ?
C9 C10 H10B 109.5 . . ?
C10 C10 H10B 109.5 2_755 . ?
H10A C10 H10B 108.1 . . ?
C23 C24 C25 120.60(14) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
O5 C22 C28 125.13(14) . . ?
O5 C22 C23 114.78(13) . . ?
C28 C22 C23 120.09(14) . . ?
C11 O1 Zn1 110.31(10) . . ?
C24 C23 C22 120.18(14) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
O7 C15 C16 124.57(14) 2_455 . ?
O7 C15 C14 115.48(14) 2_455 . ?
C16 C15 C14 119.95(14) . . ?
C2 C1 N1 106.84(14) . . ?
C2 C1 H1 126.6 . . ?
N1 C1 H1 126.6 . . ?
C27 C25 C24 118.65(14) . . ?
C27 C25 C26 121.74(14) . . ?
C24 C25 C26 119.61(14) . . ?
C3 N2 C2 106.31(12) . . ?
C3 N2 Zn1 140.00(11) . . ?
C2 N2 Zn1 113.54(10) . . ?
C28 C27 C25 121.43(14) . . ?
C28 C27 H27 119.3 . . ?
C25 C27 H27 119.3 . . ?
C14 C13 C12 120.82(14) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
O6 C20 C21 107.77(13) . . ?
O6 C20 H20A 110.2 . . ?
C21 C20 H20A 110.2 . . ?
O6 C20 H20B 110.2 . . ?
C21 C20 H20B 110.2 . . ?
H20A C20 H20B 108.5 . . ?
N3 C4 C5 122.91(14) . . ?
N3 C4 C3 116.60(13) . . ?
C5 C4 C3 120.45(14) . . ?
N2 C3 N1 110.00(13) . . ?
N2 C3 C4 125.27(13) . . ?
N1 C3 C4 124.61(13) . . ?
C27 C28 C22 119.03(14) . . ?
C27 C28 H28 120.5 . . ?
C22 C28 H28 120.5 . . ?
C12 C17 C16 121.31(14) . . ?
C12 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
O6 C19 C18 108.21(13) . . ?
O6 C19 H19A 110.1 . . ?
C18 C19 H19A 110.1 . . ?
O6 C19 H19B 110.1 . . ?
C18 C19 H19B 110.1 . . ?
H19A C19 H19B 108.4 . . ?
O5 C21 C20 106.73(13) . . ?
O5 C21 H21A 110.4 . . ?
C20 C21 H21A 110.4 . . ?
O5 C21 H21B 110.4 . . ?
C20 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
C15 C16 C17 119.31(14) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C13 C14 C15 119.99(15) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C6 C5 C4 118.82(15) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C6 C7 C8 118.41(15) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 H7 120.8 . . ?
C1 C2 N2 109.21(14) . . ?
C1 C2 H2 125.4 . . ?
N2 C2 H2 125.4 . . ?
O2 C11 O1 123.25(15) . . ?
O2 C11 C12 121.30(14) . . ?
O1 C11 C12 115.42(14) . . ?
N3 C8 C7 124.05(15) . . ?
N3 C8 H8 118.0 . . ?
C7 C8 H8 118.0 . . ?
C7 C6 C5 118.81(15) . . ?
C7 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
O7 C18 C19 107.22(13) . . ?
O7 C18 H18A 110.3 . . ?
C19 C18 H18A 110.3 . . ?
O7 C18 H18B 110.3 . . ?
C19 C18 H18B 110.3 . . ?
H18A C18 H18B 108.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 1.9454(11) . ?
Zn1 O3 1.9529(12) . ?
Zn1 O4 1.9658(11) 2_665 ?
Zn1 N2 2.0398(13) . ?
O5 C22 1.3618(18) . ?
O5 C21 1.4315(19) . ?
O7 C15 1.3665(18) 2_455 ?
O7 C18 1.4316(19) . ?
O3 C26 1.259(2) . ?
N1 C3 1.3589(18) . ?
N1 C1 1.374(2) . ?
N1 C9 1.4699(19) . ?
C9 C10 1.518(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C26 O4 1.2556(19) . ?
C26 C25 1.503(2) . ?
C12 C17 1.389(2) . ?
C12 C13 1.399(2) . ?
C12 C11 1.506(2) . ?
N3 C8 1.339(2) . ?
N3 C4 1.347(2) . ?
O2 C11 1.228(2) . ?
O6 C20 1.4174(19) . ?
O6 C19 1.418(2) . ?
O4 Zn1 1.9658(11) 2_665 ?
C10 C10 1.530(3) 2_755 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C24 C23 1.376(2) . ?
C24 C25 1.399(2) . ?
C24 H24 0.9300 . ?
C22 C28 1.393(2) . ?
C22 C23 1.395(2) . ?
O1 C11 1.2936(19) . ?
C23 H23 0.9300 . ?
C15 O7 1.3665(18) 2_455 ?
C15 C16 1.392(2) . ?
C15 C14 1.398(2) . ?
C1 C2 1.354(2) . ?
C1 H1 0.9300 . ?
C25 C27 1.390(2) . ?
N2 C3 1.3362(19) . ?
N2 C2 1.385(2) . ?
C27 C28 1.389(2) . ?
C27 H27 0.9300 . ?
C13 C14 1.382(2) . ?
C13 H13 0.9300 . ?
C20 C21 1.502(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C4 C5 1.393(2) . ?
C4 C3 1.477(2) . ?
C28 H28 0.9300 . ?
C17 C16 1.394(2) . ?
C17 H17 0.9300 . ?
C19 C18 1.507(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C16 H16 0.9300 . ?
C14 H14 0.9300 . ?
C5 C6 1.387(2) . ?
C5 H5 0.9300 . ?
C7 C6 1.383(2) . ?
C7 C8 1.385(2) . ?
C7 H7 0.9300 . ?
C2 H2 0.9300 . ?
C8 H8 0.9300 . ?
C6 H6 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Zn1 O3 C26 100.95(19) . . . . ?
O4 Zn1 O3 C26 -33.3(2) 2_665 . . . ?
N2 Zn1 O3 C26 -136.98(19) . . . . ?
C3 N1 C9 C10 107.34(18) . . . . ?
C1 N1 C9 C10 -80.42(19) . . . . ?
Zn1 O3 C26 O4 5.5(3) . . . . ?
Zn1 O3 C26 C25 -173.00(13) . . . . ?
O3 C26 O4 Zn1 27.8(2) . . . 2_665 ?
C25 C26 O4 Zn1 -153.69(11) . . . 2_665 ?
N1 C9 C10 C10 169.80(16) . . . 2_755 ?
C21 O5 C22 C28 -6.8(2) . . . . ?
C21 O5 C22 C23 172.81(13) . . . . ?
O3 Zn1 O1 C11 -73.85(12) . . . . ?
O4 Zn1 O1 C11 69.87(12) 2_665 . . . ?
N2 Zn1 O1 C11 176.61(10) . . . . ?
C25 C24 C23 C22 -1.4(2) . . . . ?
O5 C22 C23 C24 -179.37(13) . . . . ?
C28 C22 C23 C24 0.3(2) . . . . ?
C3 N1 C1 C2 0.16(19) . . . . ?
C9 N1 C1 C2 -173.52(15) . . . . ?
C23 C24 C25 C27 1.3(2) . . . . ?
C23 C24 C25 C26 -178.24(13) . . . . ?
O4 C26 C25 C27 -3.6(2) . . . . ?
O3 C26 C25 C27 175.01(14) . . . . ?
O4 C26 C25 C24 175.88(14) . . . . ?
O3 C26 C25 C24 -5.5(2) . . . . ?
O1 Zn1 N2 C3 11.08(19) . . . . ?
O3 Zn1 N2 C3 -105.99(17) . . . . ?
O4 Zn1 N2 C3 124.40(17) 2_665 . . . ?
O1 Zn1 N2 C2 -163.70(11) . . . . ?
O3 Zn1 N2 C2 79.24(12) . . . . ?
O4 Zn1 N2 C2 -50.38(12) 2_665 . . . ?
C24 C25 C27 C28 0.0(2) . . . . ?
C26 C25 C27 C28 179.54(13) . . . . ?
C17 C12 C13 C14 -0.5(2) . . . . ?
C11 C12 C13 C14 -178.81(15) . . . . ?
C19 O6 C20 C21 -177.39(14) . . . . ?
C8 N3 C4 C5 3.8(2) . . . . ?
C8 N3 C4 C3 -173.87(14) . . . . ?
C2 N2 C3 N1 1.13(18) . . . . ?
Zn1 N2 C3 N1 -173.87(12) . . . . ?
C2 N2 C3 C4 -175.04(15) . . . . ?
Zn1 N2 C3 C4 10.0(3) . . . . ?
C1 N1 C3 N2 -0.82(18) . . . . ?
C9 N1 C3 N2 172.34(14) . . . . ?
C1 N1 C3 C4 175.38(15) . . . . ?
C9 N1 C3 C4 -11.5(3) . . . . ?
N3 C4 C3 N2 141.66(16) . . . . ?
C5 C4 C3 N2 -36.1(2) . . . . ?
N3 C4 C3 N1 -34.0(2) . . . . ?
C5 C4 C3 N1 148.32(16) . . . . ?
C25 C27 C28 C22 -1.2(2) . . . . ?
O5 C22 C28 C27 -179.38(13) . . . . ?
C23 C22 C28 C27 1.0(2) . . . . ?
C13 C12 C17 C16 0.2(2) . . . . ?
C11 C12 C17 C16 178.50(15) . . . . ?
C20 O6 C19 C18 -179.08(14) . . . . ?
C22 O5 C21 C20 -170.73(12) . . . . ?
O6 C20 C21 O5 67.96(16) . . . . ?
O7 C15 C16 C17 179.34(15) 2_455 . . . ?
C14 C15 C16 C17 -1.1(2) . . . . ?
C12 C17 C16 C15 0.6(2) . . . . ?
C12 C13 C14 C15 0.1(3) . . . . ?
O7 C15 C14 C13 -179.63(15) 2_455 . . . ?
C16 C15 C14 C13 0.7(2) . . . . ?
N3 C4 C5 C6 -3.1(2) . . . . ?
C3 C4 C5 C6 174.44(15) . . . . ?
N1 C1 C2 N2 0.5(2) . . . . ?
C3 N2 C2 C1 -1.03(19) . . . . ?
Zn1 N2 C2 C1 175.47(12) . . . . ?
Zn1 O1 C11 O2 -3.6(2) . . . . ?
Zn1 O1 C11 C12 174.63(11) . . . . ?
C17 C12 C11 O2 9.7(2) . . . . ?
C13 C12 C11 O2 -172.04(16) . . . . ?
C17 C12 C11 O1 -168.55(15) . . . . ?
C13 C12 C11 O1 9.7(2) . . . . ?
C4 N3 C8 C7 -1.4(2) . . . . ?
C6 C7 C8 N3 -1.6(3) . . . . ?
C8 C7 C6 C5 2.3(3) . . . . ?
C4 C5 C6 C7 -0.1(2) . . . . ?
C15 O7 C18 C19 -179.78(13) 2_455 . . . ?
O6 C19 C18 O7 67.45(17) . . . . ?
