#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:16:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179102 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/64/4306471.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_4306471
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            'C100 H86 N12 O28 Zn5'
_chemical_formula_weight         2230.66
_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                94.4840(10)
_cell_angle_beta                 105.2900(10)
_cell_angle_gamma                114.1670(10)
_cell_formula_units_Z            1
_cell_length_a                   11.5890(4)
_cell_length_b                   11.7730(4)
_cell_length_c                   19.6900(7)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.94
_cell_volume                     2310.75(14)
_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 0.993
_diffrn_measured_fraction_theta_max 0.926
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14529
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.370
_exptl_absorpt_correction_T_max  0.672
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.440
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         10619
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0500
_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)+(0.0679P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1212
_refine_ls_wR_factor_ref         0.1423
_reflns_number_gt                6695
_reflns_number_total             10619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801275w_si_001_3.cif
_cod_data_source_block           3
_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_database_code               4306471
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 0.14101(4) 0.80574(4) 0.02943(2) 0.03925(13) Uani 1 1 d . . .
Zn2 Zn 0.61703(5) 0.25544(4) 0.48680(2) 0.04681(14) Uani 1 1 d . . .
Zn3 Zn 0.0000 0.5000 0.0000 0.0559(2) Uani 1 2 d S . .
C1 C 0.3274(4) 0.7064(3) 0.06902(19) 0.0427(8) Uani 1 1 d . . .
C2 C 0.4680(3) 0.7245(3) 0.10054(18) 0.0381(8) Uani 1 1 d . . .
C3 C 0.5005(4) 0.6279(3) 0.08394(18) 0.0391(8) Uani 1 1 d . . .
H3 H 0.4351 0.5515 0.0531 0.047 Uiso 1 1 calc R . .
C4 C 0.6304(4) 0.6444(3) 0.11309(18) 0.0402(8) Uani 1 1 d . . .
C5 C 0.7261(4) 0.7545(4) 0.1611(2) 0.0488(9) Uani 1 1 d . . .
H5 H 0.8118 0.7633 0.1828 0.059 Uiso 1 1 calc R . .
C6 C 0.6945(4) 0.8520(4) 0.1770(2) 0.0477(9) Uani 1 1 d . . .
H6 H 0.7600 0.9277 0.2084 0.057 Uiso 1 1 calc R . .
C7 C 0.5668(4) 0.8383(3) 0.14677(19) 0.0440(9) Uani 1 1 d . . .
H7 H 0.5465 0.9050 0.1572 0.053 Uiso 1 1 calc R . .
C8 C 0.7679(4) 0.5355(4) 0.1287(2) 0.0564(11) Uani 1 1 d . . .
H8A H 0.8461 0.6168 0.1392 0.068 Uiso 1 1 calc R . .
H8B H 0.7811 0.4729 0.1009 0.068 Uiso 1 1 calc R . .
C9 C 0.6582(3) 0.3451(3) 0.25560(18) 0.0388(8) Uani 1 1 d . . .
H9 H 0.7067 0.4080 0.2976 0.047 Uiso 1 1 calc R . .
C10 C 0.6697(4) 0.3741(3) 0.1905(2) 0.0414(8) Uani 1 1 d . . .
C11 C 0.5984(4) 0.2814(4) 0.1273(2) 0.0504(10) Uani 1 1 d . . .
H11 H 0.6054 0.3011 0.0833 0.060 Uiso 1 1 calc R . .
C12 C 0.5169(4) 0.1593(4) 0.1313(2) 0.0549(10) Uani 1 1 d . . .
H12 H 0.4695 0.0963 0.0894 0.066 Uiso 1 1 calc R . .
C13 C 0.5043(4) 0.1292(3) 0.1950(2) 0.0463(9) Uani 1 1 d . . .
H13 H 0.4489 0.0464 0.1964 0.056 Uiso 1 1 calc R . .
C14 C 0.5755(4) 0.2236(3) 0.25891(19) 0.0412(8) Uani 1 1 d . . .
C15 C 0.5559(4) 0.1905(4) 0.3279(2) 0.0519(10) Uani 1 1 d . . .
C16 C 0.8031(4) 0.1807(4) 0.53157(19) 0.0483(9) Uani 1 1 d . . .
C17 C 0.9250(4) 0.1663(3) 0.56971(18) 0.0442(9) Uani 1 1 d . . .
C18 C 1.0393(4) 0.2717(4) 0.6150(2) 0.0535(10) Uani 1 1 d . . .
H18 H 1.0413 0.3517 0.6199 0.064 Uiso 1 1 calc R . .
C19 C 1.1479(4) 0.2571(4) 0.6521(2) 0.0610(11) Uani 1 1 d . . .
H19 H 1.2230 0.3275 0.6829 0.073 Uiso 1 1 calc R . .
C20 C 1.1484(4) 0.1410(4) 0.6447(2) 0.0581(11) Uani 1 1 d . . .
H20 H 1.2238 0.1328 0.6697 0.070 Uiso 1 1 calc R . .
C21 C 1.0352(4) 0.0349(4) 0.5996(2) 0.0499(10) Uani 1 1 d . . .
C22 C 0.9246(4) 0.0477(3) 0.56299(19) 0.0465(9) Uani 1 1 d . . .
H22 H 0.8487 -0.0234 0.5334 0.056 Uiso 1 1 calc R . .
C23 C 1.1379(5) -0.1075(5) 0.6192(2) 0.0679(13) Uani 1 1 d . . .
H23A H 1.1280 -0.1848 0.5915 0.081 Uiso 1 1 calc R . .
H23B H 1.2171 -0.0370 0.6167 0.081 Uiso 1 1 calc R . .
C24 C 1.0851(4) -0.2352(4) 0.70653(19) 0.0442(9) Uani 1 1 d . . .
C25 C 1.1011(4) -0.2345(3) 0.77847(18) 0.0399(8) Uani 1 1 d . . .
H25 H 1.1525 -0.1580 0.8122 0.048 Uiso 1 1 calc R . .
C26 C 1.0417(3) -0.3461(3) 0.80121(18) 0.0363(8) Uani 1 1 d . . .
C27 C 0.9654(4) -0.4601(3) 0.7504(2) 0.0445(9) Uani 1 1 d . . .
H27 H 0.9254 -0.5363 0.7646 0.053 Uiso 1 1 calc R . .
C28 C 0.9500(4) -0.4583(4) 0.6786(2) 0.0543(10) Uani 1 1 d . . .
H28 H 0.8991 -0.5344 0.6445 0.065 Uiso 1 1 calc R . .
C29 C 1.0082(4) -0.3468(4) 0.6562(2) 0.0543(10) Uani 1 1 d . . .
H29 H 0.9955 -0.3473 0.6075 0.065 Uiso 1 1 calc R . .
C31 C 0.6992(4) 0.5384(4) 0.4820(2) 0.0559(11) Uani 1 1 d . . .
H31 H 0.7133 0.5154 0.4398 0.067 Uiso 1 1 calc R . .
C32 C 0.7303(5) 0.6639(4) 0.5042(3) 0.0665(12) Uani 1 1 d . . .
H32 H 0.7634 0.7241 0.4777 0.080 Uiso 1 1 calc R . .
C33 C 0.7112(5) 0.6962(4) 0.5658(3) 0.0648(12) Uani 1 1 d . . .
H33 H 0.7316 0.7805 0.5827 0.078 Uiso 1 1 calc R . .
C34 C 0.6617(4) 0.6061(4) 0.6039(2) 0.0588(11) Uani 1 1 d . . .
H34 H 0.6478 0.6288 0.6462 0.071 Uiso 1 1 calc R . .
C35 C 0.6327(4) 0.4813(3) 0.5792(2) 0.0453(9) Uani 1 1 d . . .
C36 C 0.5865(4) 0.3746(3) 0.61392(19) 0.0445(9) Uani 1 1 d . . .
C37 C 0.5200(5) 0.2457(4) 0.6851(2) 0.0650(12) Uani 1 1 d . . .
H37 H 0.4924 0.2122 0.7225 0.078 Uiso 1 1 calc R . .
C38 C 0.5396(5) 0.1848(4) 0.6315(2) 0.0667(13) Uani 1 1 d . . .
H38 H 0.5265 0.1008 0.6255 0.080 Uiso 1 1 calc R . .
C39 C 0.8826(5) 0.9293(4) 0.8026(2) 0.0655(12) Uani 1 1 d . . .
H39 H 0.8907 0.8543 0.8057 0.079 Uiso 1 1 calc R . .
C40 C 0.8957(6) 0.9825(5) 0.7450(3) 0.0879(18) Uani 1 1 d . . .
H40 H 0.9144 0.9455 0.7085 0.105 Uiso 1 1 calc R . .
C41 C 0.8809(5) 1.0926(5) 0.7411(2) 0.0842(17) Uani 1 1 d . . .
H41 H 0.8855 1.1290 0.7011 0.101 Uiso 1 1 calc R . .
C42 C 0.8593(5) 1.1470(4) 0.7979(2) 0.0665(12) Uani 1 1 d . . .
H42 H 0.8521 1.2226 0.7962 0.080 Uiso 1 1 calc R . .
C43 C 0.8568(3) 0.9875(3) 0.85703(18) 0.0401(8) Uani 1 1 d . . .
C44 C 0.7950(4) 0.8274(3) 1.0032(2) 0.0477(9) Uani 1 1 d . . .
H44 H 0.7755 0.7606 1.0273 0.057 Uiso 1 1 calc R . .
C45 C 0.8125(4) 0.9459(3) 1.02688(19) 0.0450(9) Uani 1 1 d . . .
H45 H 0.8075 0.9749 1.0708 0.054 Uiso 1 1 calc R . .
C46 C 0.8378(3) 0.9407(3) 0.92172(17) 0.0358(8) Uani 1 1 d . . .
C47 C 0.7963(4) 0.7090(3) 0.8929(2) 0.0460(9) Uani 1 1 d . . .
H47A H 0.8018 0.6498 0.9237 0.055 Uiso 1 1 calc R . .
H47B H 0.8702 0.7318 0.8740 0.055 Uiso 1 1 calc R . .
C48 C 0.6673(4) 0.6430(3) 0.83109(19) 0.0430(9) Uani 1 1 d . . .
H48A H 0.6538 0.7044 0.8039 0.052 Uiso 1 1 calc R . .
H48B H 0.5931 0.6059 0.8494 0.052 Uiso 1 1 calc R . .
C49 C 0.6712(4) 0.5398(3) 0.7824(2) 0.0471(9) Uani 1 1 d . . .
H49A H 0.7412 0.5786 0.7614 0.056 Uiso 1 1 calc R . .
H49B H 0.6934 0.4837 0.8110 0.056 Uiso 1 1 calc R . .
C50 C 0.5403(4) 0.4620(4) 0.7226(2) 0.0533(10) Uani 1 1 d . . .
H50A H 0.4708 0.4195 0.7434 0.064 Uiso 1 1 calc R . .
H50B H 0.5158 0.5183 0.6952 0.064 Uiso 1 1 calc R . .
N1 N 0.5812(3) 0.2642(3) 0.58788(18) 0.0537(9) Uani 1 1 d . . .
N2 N 0.5485(3) 0.3662(3) 0.67395(17) 0.0489(8) Uani 1 1 d . . .
N3 N 0.6504(3) 0.4483(3) 0.51693(16) 0.0477(8) Uani 1 1 d . . .
N4 N 0.8115(3) 0.8243(3) 0.93671(15) 0.0398(7) Uani 1 1 d . . .
N5 N 0.8387(3) 1.0162(3) 0.97629(14) 0.0374(7) Uani 1 1 d . . .
N6 N 0.8483(3) 1.0962(3) 0.85513(16) 0.0487(8) Uani 1 1 d . . .
O13 O -0.0085(2) 0.6554(2) 0.03320(13) 0.0396(6) Uani 1 1 d D . .
O12 O 0.3141(3) 0.8087(2) 0.07361(15) 0.0549(7) Uani 1 1 d . . .
O11 O 0.2363(3) 0.5978(3) 0.04170(16) 0.0602(8) Uani 1 1 d . . .
O8 O 0.6208(3) 0.2763(2) 0.38504(14) 0.0596(8) Uani 1 1 d . . .
O7 O 0.4740(4) 0.0801(3) 0.32620(17) 0.0940(12) Uani 1 1 d . . .
O10 O 0.7546(3) 0.4996(2) 0.19360(14) 0.0501(6) Uani 1 1 d . . .
O9 O 0.6546(3) 0.5455(3) 0.08798(14) 0.0551(7) Uani 1 1 d . . .
O5 O 0.8137(3) 0.2907(3) 0.52984(15) 0.0597(7) Uani 1 1 d . . .
O6 O 0.6926(3) 0.0855(3) 0.50325(16) 0.0659(8) Uani 1 1 d . . .
O4 O 1.0243(3) -0.0874(3) 0.58854(15) 0.0645(8) Uani 1 1 d . . .
O3 O 1.1540(3) -0.1180(3) 0.69085(14) 0.0598(8) Uani 1 1 d . . .
C30 C 1.0566(3) -0.3445(3) 0.87961(18) 0.0375(8) Uani 1 1 d . . .
O1 O 1.1160(3) -0.2372(2) 0.92166(12) 0.0456(6) Uani 1 1 d . . .
O2 O 1.0076(3) -0.4498(2) 0.89713(13) 0.0502(7) Uani 1 1 d . . .
O1W O 0.4243(3) 0.1175(2) 0.44176(17) 0.0595(7) Uani 1 1 d D . .
H1A H 0.394(5) 0.056(3) 0.462(2) 0.089 Uiso 1 1 d D . .
H1B H 0.432(5) 0.092(4) 0.4025(14) 0.089 Uiso 1 1 d D . .
H1O H -0.017(5) 0.664(5) 0.0744(12) 0.089 Uiso 1 1 d 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'
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
O13 Zn1 O12 113.77(11) . . ?
O13 Zn1 N5 130.79(11) . 2_676 ?
O12 Zn1 N5 110.99(11) . 2_676 ?
O13 Zn1 O1 98.47(10) . 1_464 ?
O12 Zn1 O1 101.47(11) . 1_464 ?
N5 Zn1 O1 91.71(10) 2_676 1_464 ?
O13 Zn1 N6 87.99(10) . 2_676 ?
O12 Zn1 N6 90.02(11) . 2_676 ?
N5 Zn1 N6 72.45(11) 2_676 2_676 ?
O1 Zn1 N6 163.09(10) 1_464 2_676 ?
O1W Zn2 O8 88.26(12) . . ?
O1W Zn2 O5 145.23(12) . . ?
O8 Zn2 O5 96.67(12) . . ?
O1W Zn2 N1 88.05(13) . . ?
O8 Zn2 N1 163.61(13) . . ?
O5 Zn2 N1 95.45(13) . . ?
O1W Zn2 N3 118.20(12) . . ?
O8 Zn2 N3 91.96(11) . . ?
O5 Zn2 N3 96.09(12) . . ?
N1 Zn2 N3 75.80(12) . . ?
O13 Zn3 O13 180.00(14) 2_565 . ?
O13 Zn3 O2 91.38(10) 2_565 2_656 ?
O13 Zn3 O2 88.62(10) . 2_656 ?
O13 Zn3 O2 88.62(10) 2_565 1_464 ?
O13 Zn3 O2 91.38(10) . 1_464 ?
O2 Zn3 O2 180.0 2_656 1_464 ?
O13 Zn3 O11 86.79(9) 2_565 . ?
O13 Zn3 O11 93.21(9) . . ?
O2 Zn3 O11 91.58(11) 2_656 . ?
O2 Zn3 O11 88.42(11) 1_464 . ?
O13 Zn3 O11 93.21(9) 2_565 2_565 ?
O13 Zn3 O11 86.79(9) . 2_565 ?
O2 Zn3 O11 88.42(11) 2_656 2_565 ?
O2 Zn3 O11 91.58(11) 1_464 2_565 ?
O11 Zn3 O11 180.00(16) . 2_565 ?
O11 C1 O12 125.8(3) . . ?
O11 C1 C2 119.4(3) . . ?
O12 C1 C2 114.8(3) . . ?
C3 C2 C7 119.4(3) . . ?
C3 C2 C1 120.0(3) . . ?
C7 C2 C1 120.6(3) . . ?
C2 C3 C4 120.1(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 O9 124.4(3) . . ?
C3 C4 O9 115.2(3) . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C7 C6 C5 120.5(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C2 119.9(3) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
O9 C8 O10 111.5(3) . . ?
O9 C8 H8A 109.3 . . ?
O10 C8 H8A 109.3 . . ?
O9 C8 H8B 109.3 . . ?
O10 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C14 C9 C10 120.4(3) . . ?
C14 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 O10 115.4(3) . . ?
C9 C10 C11 120.6(3) . . ?
O10 C10 C11 124.0(3) . . ?
C12 C11 C10 118.5(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C13 C12 C11 121.6(4) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 119.8(4) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C9 C14 C13 119.0(3) . . ?
C9 C14 C15 121.8(3) . . ?
C13 C14 C15 119.2(3) . . ?
O7 C15 O8 123.2(4) . . ?
O7 C15 C14 118.3(4) . . ?
O8 C15 C14 118.5(3) . . ?
O6 C16 O5 120.5(4) . . ?
O6 C16 C17 120.8(4) . . ?
O5 C16 C17 118.6(4) . . ?
C22 C17 C18 119.0(4) . . ?
C22 C17 C16 120.9(3) . . ?
C18 C17 C16 120.1(4) . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 121.1(4) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C21 119.6(4) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 O4 115.7(4) . . ?
C22 C21 C20 119.9(4) . . ?
O4 C21 C20 124.4(4) . . ?
C21 C22 C17 120.5(4) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
O3 C23 O4 111.5(4) . . ?
O3 C23 H23A 109.3 . . ?
O4 C23 H23A 109.3 . . ?
O3 C23 H23B 109.3 . . ?
O4 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C29 C24 C25 120.3(4) . . ?
C29 C24 O3 124.4(3) . . ?
C25 C24 O3 115.4(3) . . ?
C24 C25 C26 120.8(3) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C25 C26 C27 119.1(3) . . ?
C25 C26 C30 120.7(3) . . ?
C27 C26 C30 120.2(3) . . ?
C28 C27 C26 119.0(4) . . ?
C28 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C29 C28 C27 121.7(4) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C24 C29 C28 119.1(4) . . ?
C24 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
N3 C31 C32 124.1(4) . . ?
N3 C31 H31 118.0 . . ?
C32 C31 H31 118.0 . . ?
C33 C32 C31 117.4(4) . . ?
C33 C32 H32 121.3 . . ?
C31 C32 H32 121.3 . . ?
C32 C33 C34 120.4(4) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C35 119.7(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
N3 C35 C34 120.0(4) . . ?
N3 C35 C36 112.5(3) . . ?
C34 C35 C36 127.5(4) . . ?
N1 C36 N2 109.7(3) . . ?
N1 C36 C35 119.7(3) . . ?
N2 C36 C35 130.6(3) . . ?
C38 C37 N2 106.8(4) . . ?
C38 C37 H37 126.6 . . ?
N2 C37 H37 126.6 . . ?
N1 C38 C37 109.8(4) . . ?
N1 C38 H38 125.1 . . ?
C37 C38 H38 125.1 . . ?
C40 C39 C43 119.4(5) . . ?
C40 C39 H39 120.3 . . ?
C43 C39 H39 120.3 . . ?
C39 C40 C41 119.1(5) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C42 C41 C40 118.4(4) . . ?
C42 C41 H41 120.8 . . ?
C40 C41 H41 120.8 . . ?
N6 C42 C41 122.7(5) . . ?
N6 C42 H42 118.6 . . ?
C41 C42 H42 118.6 . . ?
N6 C43 C39 121.8(4) . . ?
N6 C43 C46 112.4(3) . . ?
C39 C43 C46 125.9(4) . . ?
C45 C44 N4 106.9(3) . . ?
C45 C44 H44 126.5 . . ?
N4 C44 H44 126.5 . . ?
C44 C45 N5 109.2(3) . . ?
C44 C45 H45 125.4 . . ?
N5 C45 H45 125.4 . . ?
N5 C46 N4 109.6(3) . . ?
N5 C46 C43 120.1(3) . . ?
N4 C46 C43 130.2(3) . . ?
N4 C47 C48 114.1(3) . . ?
N4 C47 H47A 108.7 . . ?
C48 C47 H47A 108.7 . . ?
N4 C47 H47B 108.7 . . ?
C48 C47 H47B 108.7 . . ?
H47A C47 H47B 107.6 . . ?
C47 C48 C49 110.0(3) . . ?
C47 C48 H48A 109.7 . . ?
C49 C48 H48A 109.7 . . ?
C47 C48 H48B 109.7 . . ?
C49 C48 H48B 109.7 . . ?
H48A C48 H48B 108.2 . . ?
C50 C49 C48 112.9(3) . . ?
C50 C49 H49A 109.0 . . ?
C48 C49 H49A 109.0 . . ?
C50 C49 H49B 109.0 . . ?
C48 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
N2 C50 C49 111.8(3) . . ?
N2 C50 H50A 109.2 . . ?
C49 C50 H50A 109.2 . . ?
N2 C50 H50B 109.2 . . ?
C49 C50 H50B 109.2 . . ?
H50A C50 H50B 107.9 . . ?
C36 N1 C38 107.0(3) . . ?
C36 N1 Zn2 114.1(2) . . ?
C38 N1 Zn2 138.4(3) . . ?
C36 N2 C37 106.7(3) . . ?
C36 N2 C50 130.6(3) . . ?
C37 N2 C50 122.6(3) . . ?
C31 N3 C35 118.4(3) . . ?
C31 N3 Zn2 123.9(3) . . ?
C35 N3 Zn2 117.4(2) . . ?
C46 N4 C44 107.3(3) . . ?
C46 N4 C47 129.9(3) . . ?
C44 N4 C47 122.7(3) . . ?
C46 N5 C45 107.0(3) . . ?
C46 N5 Zn1 121.5(2) . 2_676 ?
C45 N5 Zn1 131.3(2) . 2_676 ?
C43 N6 C42 118.5(4) . . ?
C43 N6 Zn1 112.0(2) . 2_676 ?
C42 N6 Zn1 128.3(3) . 2_676 ?
Zn1 O13 Zn3 112.14(11) . . ?
Zn1 O13 H1O 109(3) . . ?
Zn3 O13 H1O 116(3) . . ?
C1 O12 Zn1 120.8(2) . . ?
C1 O11 Zn3 136.8(2) . . ?
C15 O8 Zn2 126.6(3) . . ?
C10 O10 C8 117.9(3) . . ?
C4 O9 C8 118.5(3) . . ?
C16 O5 Zn2 101.9(3) . . ?
C21 O4 C23 119.4(3) . . ?
C24 O3 C23 119.6(3) . . ?
O2 C30 O1 125.8(3) . . ?
O2 C30 C26 117.4(3) . . ?
O1 C30 C26 116.9(3) . . ?
C30 O1 Zn1 128.6(2) . 1_646 ?
C30 O2 Zn3 132.1(2) . 1_646 ?
Zn2 O1W H1A 120(3) . . ?
Zn2 O1W H1B 97(3) . . ?
H1A O1W H1B 111(4) . . ?
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 O13 1.928(2) . ?
Zn1 O12 1.950(3) . ?
Zn1 N5 2.028(3) 2_676 ?
Zn1 O1 2.057(2) 1_464 ?
Zn1 N6 2.417(3) 2_676 ?
Zn2 O1W 2.043(3) . ?
Zn2 O8 2.047(3) . ?
Zn2 O5 2.059(3) . ?
Zn2 N1 2.141(3) . ?
Zn2 N3 2.146(3) . ?
Zn3 O13 1.944(2) 2_565 ?
Zn3 O13 1.944(2) . ?
Zn3 O2 2.168(2) 2_656 ?
Zn3 O2 2.168(2) 1_464 ?
Zn3 O11 2.363(3) . ?
Zn3 O11 2.363(3) 2_565 ?
C1 O11 1.235(4) . ?
C1 O12 1.275(4) . ?
C1 C2 1.499(5) . ?
C2 C3 1.378(5) . ?
C2 C7 1.392(5) . ?
C3 C4 1.386(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.372(5) . ?
C4 O9 1.389(4) . ?
C5 C6 1.378(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.377(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 O9 1.402(4) . ?
C8 O10 1.403(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C14 1.376(5) . ?
C9 C10 1.377(5) . ?
C9 H9 0.9300 . ?
C10 O10 1.385(4) . ?
C10 C11 1.389(5) . ?
C11 C12 1.382(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.357(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.409(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.490(5) . ?
C15 O7 1.248(5) . ?
C15 O8 1.268(4) . ?
C16 O6 1.248(5) . ?
C16 O5 1.255(5) . ?
C16 C17 1.498(5) . ?
C17 C22 1.391(5) . ?
C17 C18 1.395(5) . ?
C18 C19 1.363(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.366(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.393(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.368(5) . ?
C21 O4 1.388(4) . ?
C22 H22 0.9300 . ?
C23 O3 1.396(5) . ?
C23 O4 1.417(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.369(5) . ?
C24 C25 1.378(5) . ?
C24 O3 1.390(4) . ?
C25 C26 1.384(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.391(5) . ?
C26 C30 1.505(5) . ?
C27 C28 1.380(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.377(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C31 N3 1.321(5) . ?
C31 C32 1.372(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.343(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.367(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.380(5) . ?
C34 H34 0.9300 . ?
C35 N3 1.348(5) . ?
C35 C36 1.453(5) . ?
C36 N1 1.330(4) . ?
C36 N2 1.364(5) . ?
C37 C38 1.350(6) . ?
C37 N2 1.368(5) . ?
C37 H37 0.9300 . ?
C38 N1 1.347(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.350(6) . ?
C39 C43 1.390(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.380(8) . ?
C40 H40 0.9300 . ?
C41 C42 1.375(7) . ?
C41 H41 0.9300 . ?
C42 N6 1.327(5) . ?
C42 H42 0.9300 . ?
C43 N6 1.325(5) . ?
C43 C46 1.460(5) . ?
C44 C45 1.350(5) . ?
C44 N4 1.371(5) . ?
C44 H44 0.9300 . ?
C45 N5 1.361(4) . ?
C45 H45 0.9300 . ?
C46 N5 1.335(4) . ?
C46 N4 1.351(4) . ?
C47 N4 1.469(4) . ?
C47 C48 1.504(5) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.511(5) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.509(5) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 N2 1.472(5) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
N5 Zn1 2.028(3) 2_676 ?
N6 Zn1 2.417(3) 2_676 ?
O13 H1O 0.85(3) . ?
C30 O2 1.254(4) . ?
C30 O1 1.257(4) . ?
O1 Zn1 2.057(2) 1_646 ?
O2 Zn3 2.168(2) 1_646 ?
O1W H1A 0.85(3) . ?
O1W H1B 0.85(4) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1A O6 0.85(3) 1.85(4) 2.692(4) 173(5) 2_656
O1W H1B O7 0.85(4) 1.71(4) 2.539(5) 166(4) .
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
O11 C1 C2 C3 15.8(5) . . . . ?
O12 C1 C2 C3 -164.3(3) . . . . ?
O11 C1 C2 C7 -164.1(4) . . . . ?
O12 C1 C2 C7 15.8(5) . . . . ?
C7 C2 C3 C4 0.0(5) . . . . ?
C1 C2 C3 C4 -179.9(3) . . . . ?
C2 C3 C4 C5 2.9(5) . . . . ?
C2 C3 C4 O9 -174.7(3) . . . . ?
C3 C4 C5 C6 -3.9(6) . . . . ?
O9 C4 C5 C6 173.5(3) . . . . ?
C4 C5 C6 C7 1.9(6) . . . . ?
C5 C6 C7 C2 1.0(6) . . . . ?
C3 C2 C7 C6 -1.9(5) . . . . ?
C1 C2 C7 C6 178.0(3) . . . . ?
C14 C9 C10 O10 179.3(3) . . . . ?
C14 C9 C10 C11 -0.2(5) . . . . ?
C9 C10 C11 C12 -0.6(5) . . . . ?
O10 C10 C11 C12 179.9(4) . . . . ?
C10 C11 C12 C13 0.7(6) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C10 C9 C14 C13 0.9(5) . . . . ?
C10 C9 C14 C15 -177.1(3) . . . . ?
C12 C13 C14 C9 -0.8(5) . . . . ?
C12 C13 C14 C15 177.2(4) . . . . ?
C9 C14 C15 O7 176.3(4) . . . . ?
C13 C14 C15 O7 -1.7(6) . . . . ?
C9 C14 C15 O8 -2.2(6) . . . . ?
C13 C14 C15 O8 179.9(4) . . . . ?
O6 C16 C17 C22 12.4(5) . . . . ?
O5 C16 C17 C22 -169.0(3) . . . . ?
O6 C16 C17 C18 -165.0(4) . . . . ?
O5 C16 C17 C18 13.6(5) . . . . ?
C22 C17 C18 C19 -0.3(6) . . . . ?
C16 C17 C18 C19 177.1(4) . . . . ?
C17 C18 C19 C20 1.3(6) . . . . ?
C18 C19 C20 C21 -1.1(7) . . . . ?
C19 C20 C21 C22 0.0(6) . . . . ?
C19 C20 C21 O4 -179.5(4) . . . . ?
O4 C21 C22 C17 -179.5(3) . . . . ?
C20 C21 C22 C17 0.9(5) . . . . ?
C18 C17 C22 C21 -0.8(5) . . . . ?
C16 C17 C22 C21 -178.2(3) . . . . ?
C29 C24 C25 C26 0.9(5) . . . . ?
O3 C24 C25 C26 -177.6(3) . . . . ?
C24 C25 C26 C27 0.3(5) . . . . ?
C24 C25 C26 C30 -178.5(3) . . . . ?
C25 C26 C27 C28 -0.7(5) . . . . ?
C30 C26 C27 C28 178.1(3) . . . . ?
C26 C27 C28 C29 0.0(6) . . . . ?
C25 C24 C29 C28 -1.5(6) . . . . ?
O3 C24 C29 C28 176.7(4) . . . . ?
C27 C28 C29 C24 1.1(6) . . . . ?
N3 C31 C32 C33 0.9(7) . . . . ?
C31 C32 C33 C34 -0.4(7) . . . . ?
C32 C33 C34 C35 0.7(7) . . . . ?
C33 C34 C35 N3 -1.4(6) . . . . ?
C33 C34 C35 C36 176.5(4) . . . . ?
N3 C35 C36 N1 7.5(5) . . . . ?
C34 C35 C36 N1 -170.5(4) . . . . ?
N3 C35 C36 N2 -174.9(4) . . . . ?
C34 C35 C36 N2 7.1(7) . . . . ?
N2 C37 C38 N1 0.8(6) . . . . ?
C43 C39 C40 C41 -1.1(8) . . . . ?
C39 C40 C41 C42 2.9(8) . . . . ?
C40 C41 C42 N6 -2.0(8) . . . . ?
C40 C39 C43 N6 -1.9(7) . . . . ?
C40 C39 C43 C46 178.9(4) . . . . ?
N4 C44 C45 N5 0.4(4) . . . . ?
N6 C43 C46 N5 -11.8(5) . . . . ?
C39 C43 C46 N5 167.4(4) . . . . ?
N6 C43 C46 N4 164.5(3) . . . . ?
C39 C43 C46 N4 -16.3(6) . . . . ?
N4 C47 C48 C49 170.4(3) . . . . ?
C47 C48 C49 C50 175.1(3) . . . . ?
C48 C49 C50 N2 177.3(3) . . . . ?
N2 C36 N1 C38 -0.1(5) . . . . ?
C35 C36 N1 C38 178.0(4) . . . . ?
N2 C36 N1 Zn2 173.5(2) . . . . ?
C35 C36 N1 Zn2 -8.4(5) . . . . ?
C37 C38 N1 C36 -0.5(5) . . . . ?
C37 C38 N1 Zn2 -171.6(3) . . . . ?
O1W Zn2 N1 C36 -114.8(3) . . . . ?
O8 Zn2 N1 C36 -37.7(6) . . . . ?
O5 Zn2 N1 C36 99.8(3) . . . . ?
N3 Zn2 N1 C36 4.9(3) . . . . ?
O1W Zn2 N1 C38 55.9(5) . . . . ?
O8 Zn2 N1 C38 133.0(5) . . . . ?
O5 Zn2 N1 C38 -89.4(5) . . . . ?
N3 Zn2 N1 C38 175.7(5) . . . . ?
N1 C36 N2 C37 0.6(5) . . . . ?
C35 C36 N2 C37 -177.3(4) . . . . ?
N1 C36 N2 C50 178.6(4) . . . . ?
C35 C36 N2 C50 0.7(7) . . . . ?
C38 C37 N2 C36 -0.8(5) . . . . ?
C38 C37 N2 C50 -179.0(4) . . . . ?
C49 C50 N2 C36 -88.0(5) . . . . ?
C49 C50 N2 C37 89.8(5) . . . . ?
C32 C31 N3 C35 -1.6(6) . . . . ?
C32 C31 N3 Zn2 -174.8(3) . . . . ?
C34 C35 N3 C31 1.8(6) . . . . ?
C36 C35 N3 C31 -176.4(3) . . . . ?
C34 C35 N3 Zn2 175.4(3) . . . . ?
C36 C35 N3 Zn2 -2.7(4) . . . . ?
O1W Zn2 N3 C31 -107.9(3) . . . . ?
O8 Zn2 N3 C31 -18.8(3) . . . . ?
O5 Zn2 N3 C31 78.2(3) . . . . ?
N1 Zn2 N3 C31 172.3(3) . . . . ?
O1W Zn2 N3 C35 78.9(3) . . . . ?
O8 Zn2 N3 C35 168.0(3) . . . . ?
O5 Zn2 N3 C35 -95.1(3) . . . . ?
N1 Zn2 N3 C35 -1.0(3) . . . . ?
N5 C46 N4 C44 0.1(4) . . . . ?
C43 C46 N4 C44 -176.5(4) . . . . ?
N5 C46 N4 C47 178.0(3) . . . . ?
C43 C46 N4 C47 1.4(6) . . . . ?
C45 C44 N4 C46 -0.3(4) . . . . ?
C45 C44 N4 C47 -178.4(3) . . . . ?
C48 C47 N4 C46 -73.6(5) . . . . ?
C48 C47 N4 C44 104.0(4) . . . . ?
N4 C46 N5 C45 0.1(4) . . . . ?
C43 C46 N5 C45 177.1(3) . . . . ?
N4 C46 N5 Zn1 -174.7(2) . . . 2_676 ?
C43 C46 N5 Zn1 2.3(4) . . . 2_676 ?
C44 C45 N5 C46 -0.3(4) . . . . ?
C44 C45 N5 Zn1 173.8(3) . . . 2_676 ?
C39 C43 N6 C42 2.9(6) . . . . ?
C46 C43 N6 C42 -177.8(4) . . . . ?
C39 C43 N6 Zn1 -165.5(3) . . . 2_676 ?
C46 C43 N6 Zn1 13.8(4) . . . 2_676 ?
C41 C42 N6 C43 -1.0(7) . . . . ?
C41 C42 N6 Zn1 165.3(4) . . . 2_676 ?
O12 Zn1 O13 Zn3 -49.36(16) . . . . ?
N5 Zn1 O13 Zn3 156.89(12) 2_676 . . . ?
O1 Zn1 O13 Zn3 57.21(14) 1_464 . . . ?
N6 Zn1 O13 Zn3 -138.49(13) 2_676 . . . ?
O2 Zn3 O13 Zn1 123.12(13) 2_656 . . . ?
O2 Zn3 O13 Zn1 -56.88(13) 1_464 . . . ?
O11 Zn3 O13 Zn1 31.61(14) . . . . ?
O11 Zn3 O13 Zn1 -148.39(14) 2_565 . . . ?
O11 C1 O12 Zn1 -4.7(5) . . . . ?
C2 C1 O12 Zn1 175.5(2) . . . . ?
O13 Zn1 O12 C1 35.6(3) . . . . ?
N5 Zn1 O12 C1 -165.5(3) 2_676 . . . ?
O1 Zn1 O12 C1 -69.1(3) 1_464 . . . ?
N6 Zn1 O12 C1 123.4(3) 2_676 . . . ?
O12 C1 O11 Zn3 -11.0(7) . . . . ?
C2 C1 O11 Zn3 168.8(3) . . . . ?
O13 Zn3 O11 C1 174.6(4) 2_565 . . . ?
O13 Zn3 O11 C1 -5.4(4) . . . . ?
O2 Zn3 O11 C1 -94.1(4) 2_656 . . . ?
O2 Zn3 O11 C1 85.9(4) 1_464 . . . ?
O7 C15 O8 Zn2 3.6(6) . . . . ?
C14 C15 O8 Zn2 -178.0(3) . . . . ?
O1W Zn2 O8 C15 -30.2(3) . . . . ?
O5 Zn2 O8 C15 115.3(3) . . . . ?
N1 Zn2 O8 C15 -107.3(5) . . . . ?
N3 Zn2 O8 C15 -148.4(3) . . . . ?
C9 C10 O10 C8 -178.6(3) . . . . ?
C11 C10 O10 C8 0.9(5) . . . . ?
O9 C8 O10 C10 74.3(4) . . . . ?
C5 C4 O9 C8 21.3(5) . . . . ?
C3 C4 O9 C8 -161.2(3) . . . . ?
O10 C8 O9 C4 69.4(4) . . . . ?
O6 C16 O5 Zn2 7.2(4) . . . . ?
C17 C16 O5 Zn2 -171.4(3) . . . . ?
O1W Zn2 O5 C16 -6.5(4) . . . . ?
O8 Zn2 O5 C16 -103.1(2) . . . . ?
N1 Zn2 O5 C16 88.0(2) . . . . ?
N3 Zn2 O5 C16 164.2(2) . . . . ?
C22 C21 O4 C23 174.4(3) . . . . ?
C20 C21 O4 C23 -6.1(5) . . . . ?
O3 C23 O4 C21 83.3(4) . . . . ?
C29 C24 O3 C23 5.5(6) . . . . ?
C25 C24 O3 C23 -176.2(3) . . . . ?
O4 C23 O3 C24 85.0(4) . . . . ?
C25 C26 C30 O2 -175.5(3) . . . . ?
C27 C26 C30 O2 5.8(5) . . . . ?
C25 C26 C30 O1 5.4(5) . . . . ?
C27 C26 C30 O1 -173.4(3) . . . . ?
O2 C30 O1 Zn1 -5.2(5) . . . 1_646 ?
C26 C30 O1 Zn1 173.8(2) . . . 1_646 ?
O1 C30 O2 Zn3 -0.4(5) . . . 1_646 ?
C26 C30 O2 Zn3 -179.5(2) . . . 1_646 ?
