#------------------------------------------------------------------------------
#$Date: 2016-03-26 04:00:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180205 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/99/7109904.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_7109904
loop_
_publ_author_name
'Sridhar Regati'
'Yabing He'
'Muralidhara Thimmaiah'
'Peng Li'
'Shengchang Xiang'
'Banglin Chen'
'John Cong-Gui Zhao'
_publ_section_title
;
 Enantioselective ring-opening of meso-epoxides by aromatic amines
 catalyzed by a homochiral metal-organic framework
;
_journal_name_full               Chem.Commun.
_journal_page_first              9836
_journal_paper_doi               10.1039/c3cc45988h
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C40 H23 Cl2 O12 Zn2'
_chemical_formula_weight         897.22
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.825(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1889(13)
_cell_length_b                   16.651(2)
_cell_length_c                   19.730(3)
_cell_measurement_reflns_used    1659
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     3276.3(8)
_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      185(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0702
_diffrn_reflns_av_sigmaI/netI    0.1407
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17147
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_T_max  0.9273
_exptl_absorpt_correction_T_min  0.8349
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.909
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             906
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.445
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.10(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         9823
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.1308
_refine_ls_R_factor_gt           0.0893
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1343P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2190
_refine_ls_wR_factor_ref         0.2404
_reflns_number_gt                5468
_reflns_number_total             9823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45988h.txt
_cod_data_source_block           s286
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3276.4(7)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7109904
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 0.50206(9) 0.65804(7) 0.61545(5) 0.0366(3) Uani 1 1 d .
Zn2 Zn 0.24220(13) 0.56384(9) 0.49973(6) 0.0542(4) Uani 1 1 d .
C1 C 0.4043(10) 0.7099(7) 0.4732(5) 0.041(3) Uani 1 1 d .
C2 C 0.4077(11) 0.7726(6) 0.4190(5) 0.051(3) Uani 1 1 d .
O1 O 0.4676(7) 0.7250(5) 0.5315(4) 0.056(2) Uani 1 1 d .
O2 O 0.3275(8) 0.6483(5) 0.4542(3) 0.063(2) Uani 1 1 d .
O3 O 0.6039(11) 0.9921(5) 0.4687(4) 0.095(3) Uani 1 1 d .
O4 O 0.4993(7) 1.0414(4) 0.3680(3) 0.056(2) Uani 1 1 d .
O5 O -0.3343(10) 0.6957(6) -0.3204(4) 0.093(2) Uani 1 1 d .
O6 O -0.2738(7) 0.6385(6) -0.4086(4) 0.085(3) Uani 1 1 d .
O7 O 0.2056(6) 0.6361(4) -0.4221(3) 0.048(2) Uani 1 1 d .
O8 O 0.3568(7) 0.6874(5) -0.3367(3) 0.057(2) Uani 1 1 d .
O1W O 0.1729(9) 0.5257(6) 0.4024(4) 0.093(2) Uani 1 1 d .
O2W O 0.1061(13) 0.4887(7) 0.5331(6) 0.124(4) Uani 1 1 d .
C3 C 0.4646(10) 0.8481(7) 0.4373(5) 0.044(3) Uani 1 1 d .
C4 C 0.4628(10) 0.9060(7) 0.3901(5) 0.044(3) Uani 1 1 d .
C5 C 0.4113(11) 0.8910(6) 0.3220(5) 0.049(3) Uani 1 1 d .
H5 H 0.4175 0.9310 0.2884 0.059 Uiso 1 1 calc R
C6 C 0.3501(10) 0.8183(7) 0.3010(5) 0.045(3) Uani 1 1 d .
C7 C 0.3475(10) 0.7577(7) 0.3476(4) 0.047(3) Uani 1 1 d .
H7 H 0.3073 0.7074 0.3332 0.057 Uiso 1 1 calc R
C8 C 0.5286(12) 0.9845(7) 0.4097(5) 0.059(3) Uani 1 1 d .
C9 C 0.3053(12) 0.8007(7) 0.2244(5) 0.060(2) Uani 1 1 d .
C10 C 0.1663(12) 0.7749(7) 0.1974(5) 0.060(2) Uani 1 1 d .
C11 C 0.0704(12) 0.7649(7) 0.2399(6) 0.063(3) Uani 1 1 d .
H11 H 0.0941 0.7728 0.2885 0.075 Uiso 1 1 calc R
C12 C -0.0552(10) 0.7439(9) 0.2088(6) 0.066(4) Uani 1 1 d .
C13 C -0.0916(16) 0.7296(10) 0.1368(6) 0.092(5) Uani 1 1 d .
H13 H -0.1814 0.7153 0.1167 0.110 Uiso 1 1 calc R
C14 C -0.0033(11) 0.7360(8) 0.0972(5) 0.059(3) Uani 1 1 d .
H14 H -0.0272 0.7205 0.0499 0.070 Uiso 1 1 calc R
C15 C 0.1231(11) 0.7646(7) 0.1232(5) 0.052(3) Uani 1 1 d .
C16 C 0.2176(11) 0.7771(7) 0.0794(5) 0.054(3) Uani 1 1 d .
C17 C 0.3451(12) 0.8053(8) 0.1108(5) 0.066(4) Uani 1 1 d D
O9 O 0.4303(16) 0.8132(8) 0.0638(5) 0.146(4) Uani 1 1 d D
C19 C 0.569(2) 0.8482(16) 0.0907(8) 0.171(8) Uani 1 1 d D
H19A H 0.6281 0.8091 0.1204 0.205 Uiso 1 1 calc R
H19B H 0.5645 0.8980 0.1174 0.205 Uiso 1 1 calc R
C20 C 0.618(2) 0.8647(15) 0.0271(9) 0.174(7) Uani 1 1 d D
H20A H 0.5710 0.8301 -0.0103 0.209 Uiso 1 1 calc R
H20B H 0.7146 0.8539 0.0350 0.209 Uiso 1 1 calc R
H20C H 0.6014 0.9211 0.0140 0.209 Uiso 1 1 calc R
C18 C 0.3901(13) 0.8164(7) 0.1795(6) 0.065(3) Uani 1 1 d .
H18 H 0.4789 0.8349 0.1968 0.077 Uiso 1 1 calc R
C21 C 0.174(2) 0.7695(11) 0.0025(8) 0.125(3) Uani 1 1 d .
C22 C 0.1591(14) 0.8277(6) -0.0447(4) 0.125(3) Uani 1 1 d G
C23 C 0.1985(14) 0.9034(7) -0.0186(4) 0.125(3) Uani 1 1 d G
H23 H 0.2230 0.9116 0.0300 0.150 Uiso 1 1 calc R
C24 C 0.2020(15) 0.9672(6) -0.0637(6) 0.125(3) Uani 1 1 d G
H24 H 0.2289 1.0190 -0.0459 0.150 Uiso 1 1 calc R
C25 C 0.1661(16) 0.9552(6) -0.1348(5) 0.164(10) Uani 1 1 d G
C26 C 0.1268(14) 0.8795(7) -0.1609(4) 0.117(3) Uani 1 1 d G
H26 H 0.1023 0.8713 -0.2095 0.141 Uiso 1 1 calc R
C27 C 0.1233(14) 0.8157(6) -0.1158(5) 0.117(3) Uani 1 1 d G
C28 C 0.108(2) 0.7400(11) -0.1417(7) 0.117(3) Uani 1 1 d .
C29 C 0.1447(18) 0.6775(11) -0.0956(6) 0.117(3) Uani 1 1 d .
H29 H 0.1450 0.6240 -0.1122 0.141 Uiso 1 1 calc R
C30 C 0.182(2) 0.6928(10) -0.0233(7) 0.117(3) Uani 1 1 d D
O10 O 0.2121(15) 0.6256(7) 0.0233(5) 0.146(4) Uani 1 1 d D
C39 C 0.134(2) 0.5452(13) 0.0014(8) 0.171(8) Uani 1 1 d D
H39A H 0.0364 0.5565 -0.0130 0.205 Uiso 1 1 calc R
H39B H 0.1646 0.5207 -0.0382 0.205 Uiso 1 1 calc R
C40 C 0.157(2) 0.4902(14) 0.0601(9) 0.174(7) Uani 1 1 d D
H40A H 0.2453 0.4648 0.0640 0.209 Uiso 1 1 calc R
H40B H 0.0875 0.4487 0.0531 0.209 Uiso 1 1 calc R
H40C H 0.1550 0.5199 0.1027 0.209 Uiso 1 1 calc R
C31 C 0.0687(10) 0.7181(7) -0.2176(5) 0.055(3) Uani 1 1 d .
C32 C -0.0688(10) 0.7123(7) -0.2476(5) 0.053(3) Uani 1 1 d .
H32 H -0.1366 0.7250 -0.2227 0.064 Uiso 1 1 calc R
C33 C -0.0994(10) 0.6859(7) -0.3186(5) 0.053(3) Uani 1 1 d .
C34 C -0.0023(8) 0.6738(7) -0.3547(5) 0.045(3) Uani 1 1 d .
H34 H -0.0261 0.6556 -0.4012 0.054 Uiso 1 1 calc R
C35 C 0.1346(10) 0.6876(7) -0.3246(5) 0.055(3) Uani 1 1 d .
C36 C 0.1624(10) 0.7091(8) -0.2576(5) 0.059(3) Uani 1 1 d .
H36 H 0.2536 0.7187 -0.2365 0.071 Uiso 1 1 calc R
C37 C -0.2439(10) 0.6700(8) -0.3537(6) 0.054(3) Uani 1 1 d .
C38 C 0.2429(9) 0.6690(7) -0.3652(4) 0.038(2) Uani 1 1 d .
Cl1 Cl -0.1787(6) 0.7388(4) 0.2597(3) 0.1441(14) Uani 1 1 d .
Cl2 Cl 0.1659(6) 1.0321(4) -0.1942(3) 0.1441(14) 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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O4 Zn1 O8 97.7(3) 2_646 1_556
O4 Zn1 O1 133.8(3) 2_646 .
O8 Zn1 O1 103.9(3) 1_556 .
O4 Zn1 O5 103.9(4) 2_646 1_656
O8 Zn1 O5 103.4(4) 1_556 1_656
O1 Zn1 O5 109.9(4) . 1_656
O4 Zn1 O6 86.5(3) 2_646 1_656
O8 Zn1 O6 161.2(3) 1_556 1_656
O1 Zn1 O6 85.7(3) . 1_656
O5 Zn1 O6 57.9(4) 1_656 1_656
O4 Zn1 C37 94.5(4) 2_646 1_656
O8 Zn1 C37 133.8(3) 1_556 1_656
O1 Zn1 C37 98.9(3) . 1_656
O5 Zn1 C37 30.5(4) 1_656 1_656
O6 Zn1 C37 27.4(3) 1_656 1_656
O1W Zn2 O2 83.8(3) . .
O1W Zn2 O3 102.2(4) . 2_646
O2 Zn2 O3 100.4(4) . 2_646
O1W Zn2 O7 145.4(4) . 1_556
O2 Zn2 O7 95.1(3) . 1_556
O3 Zn2 O7 112.0(3) 2_646 1_556
O1W Zn2 O2W 89.2(4) . .
O2 Zn2 O2W 164.7(5) . .
O3 Zn2 O2W 94.3(5) 2_646 .
O7 Zn2 O2W 83.0(4) 1_556 .
O1 C1 O2 127.0(9) . .
O1 C1 C2 116.3(10) . .
O2 C1 C2 116.5(8) . .
C3 C2 C7 118.6(10) . .
C3 C2 C1 120.6(9) . .
C7 C2 C1 120.7(9) . .
C1 O1 Zn1 130.1(7) . .
C1 O2 Zn2 137.0(6) . .
C8 O3 Zn2 130.3(9) . 2_656
C8 O4 Zn1 130.2(7) . 2_656
C37 O5 Zn1 99.4(7) . 1_454
C37 O6 Zn1 80.7(6) . 1_454
C38 O7 Zn2 150.9(6) . 1_554
C38 O8 Zn1 116.9(6) . 1_554
C4 C3 C2 121.4(9) . .
C3 C4 C5 120.2(10) . .
C3 C4 C8 120.9(9) . .
C5 C4 C8 118.7(9) . .
C4 C5 C6 120.9(10) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C7 C6 C5 120.8(9) . .
C7 C6 C9 118.9(9) . .
C5 C6 C9 119.5(10) . .
C6 C7 C2 117.9(10) . .
C6 C7 H7 121.1 . .
C2 C7 H7 121.1 . .
O3 C8 O4 123.4(11) . .
O3 C8 C4 119.0(10) . .
O4 C8 C4 117.5(8) . .
C18 C9 C10 120.3(9) . .
C18 C9 C6 120.1(10) . .
C10 C9 C6 119.3(10) . .
C11 C10 C15 118.6(10) . .
C11 C10 C9 123.2(9) . .
C15 C10 C9 118.1(10) . .
C12 C11 C10 117.7(10) . .
C12 C11 H11 121.1 . .
C10 C11 H11 121.1 . .
C11 C12 C13 122.0(11) . .
C11 C12 Cl1 118.3(9) . .
C13 C12 Cl1 119.6(9) . .
C14 C13 C12 121.0(12) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C15 120.7(11) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C14 C15 C10 119.2(10) . .
C14 C15 C16 121.3(9) . .
C10 C15 C16 119.3(9) . .
C17 C16 C15 117.2(9) . .
C17 C16 C21 122.4(12) . .
C15 C16 C21 120.0(12) . .
C16 C17 O9 112.5(10) . .
C16 C17 C18 125.7(11) . .
O9 C17 C18 121.5(11) . .
C17 O9 C19 117.7(9) . .
O9 C19 C20 103.2(14) . .
O9 C19 H19A 111.1 . .
C20 C19 H19A 111.1 . .
O9 C19 H19B 111.1 . .
C20 C19 H19B 111.1 . .
H19A C19 H19B 109.1 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C9 C18 C17 119.2(11) . .
C9 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C22 C21 C30 114.9(14) . .
C22 C21 C16 127.8(14) . .
C30 C21 C16 115.1(15) . .
C21 C22 C23 114.8(10) . .
C21 C22 C27 124.7(10) . .
C23 C22 C27 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C25 C24 C23 120.0 . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C26 C25 C24 120.0 . .
C26 C25 Cl2 117.3(7) . .
C24 C25 Cl2 122.7(7) . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 119.0(10) . .
C28 C27 C22 120.0(9) . .
C26 C27 C22 120.0 . .
C29 C28 C27 117.1(13) . .
C29 C28 C31 116.8(15) . .
C27 C28 C31 125.7(13) . .
C28 C29 C30 120.4(16) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
O10 C30 C29 118.6(15) . .
O10 C30 C21 120.2(13) . .
C29 C30 C21 120.7(15) . .
C30 O10 C39 117.2(11) . .
C40 C39 O10 109.0(14) . .
C40 C39 H39A 109.9 . .
O10 C39 H39A 109.9 . .
C40 C39 H39B 109.9 . .
O10 C39 H39B 109.9 . .
H39A C39 H39B 108.3 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C32 C31 C36 120.2(10) . .
C32 C31 C28 118.0(11) . .
C36 C31 C28 121.7(11) . .
C31 C32 C33 115.3(10) . .
C31 C32 H32 122.3 . .
C33 C32 H32 122.3 . .
C34 C33 C32 121.6(9) . .
C34 C33 C37 118.7(8) . .
C32 C33 C37 119.7(10) . .
C33 C34 C35 121.3(9) . .
C33 C34 H34 119.4 . .
C35 C34 H34 119.4 . .
C36 C35 C34 116.5(10) . .
C36 C35 C38 122.8(9) . .
C34 C35 C38 120.2(9) . .
C31 C36 C35 124.5(10) . .
C31 C36 H36 117.8 . .
C35 C36 H36 117.8 . .
O6 C37 O5 121.9(10) . .
O6 C37 C33 122.6(10) . .
O5 C37 C33 115.5(10) . .
O6 C37 Zn1 71.9(6) . 1_454
O5 C37 Zn1 50.1(5) . 1_454
C33 C37 Zn1 165.5(8) . 1_454
O7 C38 O8 128.0(9) . .
O7 C38 C35 116.5(8) . .
O8 C38 C35 115.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.971(7) 2_646
Zn1 O8 1.973(7) 1_556
Zn1 O1 1.968(7) .
Zn1 O5 1.977(8) 1_656
Zn1 O6 2.448(8) 1_656
Zn1 C37 2.543(10) 1_656
Zn2 O1W 2.009(8) .
Zn2 O2 1.964(8) .
Zn2 O3 1.968(9) 2_646
Zn2 O7 2.050(6) 1_556
Zn2 O2W 2.072(10) .
C1 O1 1.224(11) .
C1 O2 1.299(12) .
C1 C2 1.500(14) .
C2 C3 1.400(14) .
C2 C7 1.438(13) .
O3 C8 1.262(11) .
O3 Zn2 1.968(9) 2_656
O4 C8 1.250(12) .
O4 Zn1 1.971(7) 2_656
O5 C37 1.309(13) .
O5 Zn1 1.977(8) 1_454
O6 C37 1.186(12) .
O6 Zn1 2.448(8) 1_454
O7 C38 1.237(11) .
O7 Zn2 2.050(6) 1_554
O8 C38 1.220(10) .
O8 Zn1 1.973(7) 1_554
C3 C4 1.337(13) .
C4 C5 1.362(12) .
C4 C8 1.485(16) .
C5 C6 1.387(14) .
C5 H5 0.9500 .
C6 C7 1.369(14) .
C6 C9 1.514(13) .
C7 H7 0.9500 .
C9 C18 1.384(15) .
C9 C10 1.471(15) .
C10 C11 1.421(15) .
C10 C15 1.449(13) .
C11 C12 1.348(15) .
C11 H11 0.9500 .
C12 C13 1.413(15) .
C12 Cl1 1.766(11) .
C13 C14 1.311(16) .
C13 H13 0.9500 .
C14 C15 1.371(14) .
C14 H14 0.9500 .
C15 C16 1.436(14) .
C16 C17 1.401(15) .
C16 C21 1.496(18) .
C17 O9 1.400(14) .
C17 C18 1.352(14) .
O9 C19 1.52(2) .
C19 C20 1.467(19) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C18 H18 0.9500 .
C21 C22 1.332(18) .
C21 C30 1.38(2) .
C22 C23 1.3900 .
C22 C27 1.3900 .
C23 C24 1.3900 .
C23 H23 0.9500 .
C24 C25 1.3900 .
C24 H24 0.9500 .
C25 C26 1.3900 .
C25 Cl2 1.736(9) .
C26 C27 1.3900 .
C26 H26 0.9500 .
C27 C28 1.36(2) .
C28 C29 1.38(2) .
C28 C31 1.513(17) .
C29 C30 1.421(18) .
C29 H29 0.9500 .
C30 O10 1.441(15) .
O10 C39 1.57(2) .
C39 C40 1.46(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C31 C32 1.408(13) .
C31 C36 1.366(14) .
C32 C33 1.440(13) .
C32 H32 0.9500 .
C33 C34 1.348(13) .
C33 C37 1.517(14) .
C34 C35 1.419(12) .
C34 H34 0.9500 .
C35 C36 1.342(14) .
C35 C38 1.523(14) .
C36 H36 0.9500 .
C37 Zn1 2.543(10) 1_454
