#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:12:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180470 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/39/7213960.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_7213960
loop_
_publ_author_name
'Li, Jie'
'Sheng, Tianlu'
'Bai, Songyan'
'Hu, Shengmin'
'Wen, Yuehong'
'Fu, Ruibiao'
'Huang, Yihui'
'Xue, Zhenzhen'
'Wu, Xintao'
_publ_section_title
;
 A series of metal--organic frameworks containing diverse secondary
 building units derived from a flexible triazine-based tetracarboxylic
 ligand
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2188
_journal_paper_doi               10.1039/c3ce42045k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C31 H44 N8 O16 Zn2'
_chemical_formula_weight         915.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 98.761(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.542(8)
_cell_length_b                   7.3171(18)
_cell_length_c                   35.757(10)
_cell_measurement_reflns_used    9306
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4934
_cell_measurement_theta_min      3.2959
_cell_volume                     7639(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            26516
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.30
_diffrn_standards_number         9186
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8442
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3792
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1500
_refine_diff_density_max         2.060
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         8616
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.079
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0780P)²+20.5871P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1352
_refine_ls_wR_factor_ref         0.1411
_reflns_number_gt                7693
_reflns_number_total             8616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42045k.txt
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'monoclinic ' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        7639(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7213960
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.290319(10) 0.53787(4) 0.184661(8) 0.02188(10) Uani 1 1 d .
Zn2 Zn 0.452353(11) 0.55492(6) 0.218456(9) 0.03327(12) Uani 1 1 d .
N1 N 0.28702(7) 0.3503(3) 0.08155(6) 0.0224(4) Uani 1 1 d .
N2 N 0.20889(8) 0.3637(3) 0.05142(6) 0.0245(5) Uani 1 1 d .
N3 N 0.22737(7) 0.2462(3) 0.11433(6) 0.0230(4) Uani 1 1 d .
N4 N 0.27061(8) 0.4538(3) 0.02145(6) 0.0248(5) Uani 1 1 d .
H4A H 0.3000 0.4526 0.0238 0.030 Uiso 1 1 calc R
N5 N 0.15232(8) 0.2606(4) 0.08259(6) 0.0296(5) Uani 1 1 d .
H5A H 0.1358 0.2752 0.0608 0.036 Uiso 1 1 calc R
N6 N 0.30241(7) 0.2469(3) 0.14381(6) 0.0219(4) Uani 1 1 d .
N7 N 0.10044(16) -0.3544(6) 0.17270(13) 0.0740(11) Uani 1 1 d .
N8 N 0.4463(3) -0.0695(13) 0.0240(3) 0.165(4) Uani 1 1 d .
O1 O 0.22721(8) 0.8274(3) -0.13884(5) 0.0315(4) Uani 1 1 d .
O2 O 0.15496(8) 0.7689(4) -0.13208(6) 0.0457(6) Uani 1 1 d .
O3 O 0.00290(7) 0.0733(3) 0.18823(6) 0.0349(5) Uani 1 1 d .
O4 O 0.06676(7) 0.0689(3) 0.23149(6) 0.0332(5) Uani 1 1 d .
O5 O 0.35405(7) 0.4531(3) 0.19897(5) 0.0284(4) Uani 1 1 d .
O6 O 0.41908(7) 0.3610(3) 0.18238(6) 0.0348(5) Uani 1 1 d .
O7 O 0.24067(8) 0.0558(3) 0.21514(6) 0.0319(5) Uani 1 1 d .
O8 O 0.25260(7) 0.3460(3) 0.20251(5) 0.0265(4) Uani 1 1 d .
O9 O 0.04346(9) -0.4232(4) 0.20358(8) 0.0558(7) Uani 1 1 d .
O10 O 0.40813(12) 0.1631(7) -0.00988(9) 0.0812(11) Uani 1 1 d .
O11 O 0.28544(8) 0.7221(3) 0.22500(6) 0.0334(5) Uani 1 1 d .
O12 O 0.41515(8) 0.7709(3) 0.19237(7) 0.0426(5) Uani 1 1 d .
O13 O 0.5000 0.3123(5) 0.2500 0.0407(7) Uani 1 2 d S
O14 O 0.5000 0.8243(6) 0.2500 0.0555(10) Uani 1 2 d S
O15 O 0.45930(10) 0.0365(4) 0.15884(9) 0.0577(7) Uani 1 1 d .
O16 O 0.37170(14) 0.4520(8) 0.02939(14) 0.1171(18) Uani 1 1 d .
O17 O 0.07919(19) 0.9274(8) -0.10271(13) 0.1216(18) Uani 1 1 d .
C1 C 0.27150(9) 0.2821(3) 0.11143(7) 0.0195(5) Uani 1 1 d .
C2 C 0.25380(9) 0.3877(3) 0.05209(7) 0.0211(5) Uani 1 1 d .
C3 C 0.19821(9) 0.2909(4) 0.08357(7) 0.0223(5) Uani 1 1 d .
C4 C 0.24901(10) 0.5234(4) -0.01316(7) 0.0231(5) Uani 1 1 d .
C5 C 0.27864(10) 0.5887(4) -0.03707(8) 0.0285(6) Uani 1 1 d .
H5B H 0.3101 0.5801 -0.0296 0.034 Uiso 1 1 calc R
C6 C 0.26167(11) 0.6656(4) -0.07151(7) 0.0301(6) Uani 1 1 d .
H6A H 0.2818 0.7096 -0.0870 0.036 Uiso 1 1 calc R
C7 C 0.21459(10) 0.6779(4) -0.08321(7) 0.0259(5) Uani 1 1 d .
C8 C 0.18544(10) 0.6095(4) -0.05969(8) 0.0307(6) Uani 1 1 d .
H8A H 0.1540 0.6150 -0.0675 0.037 Uiso 1 1 calc R
C9 C 0.20192(10) 0.5329(4) -0.02469(8) 0.0285(6) Uani 1 1 d .
H9A H 0.1818 0.4886 -0.0092 0.034 Uiso 1 1 calc R
C10 C 0.19659(11) 0.7640(4) -0.12045(7) 0.0282(6) Uani 1 1 d .
C11 C 0.12815(9) 0.2092(4) 0.11192(7) 0.0253(5) Uani 1 1 d .
C12 C 0.08090(10) 0.1838(5) 0.10249(8) 0.0332(6) Uani 1 1 d .
H12A H 0.0672 0.1932 0.0774 0.040 Uiso 1 1 calc R
C13 C 0.05440(10) 0.1449(5) 0.13021(8) 0.0339(6) Uani 1 1 d .
H13A H 0.0229 0.1309 0.1235 0.041 Uiso 1 1 calc R
C14 C 0.07400(9) 0.1263(4) 0.16786(7) 0.0260(5) Uani 1 1 d .
C15 C 0.12094(10) 0.1487(5) 0.17697(8) 0.0338(7) Uani 1 1 d .
H15A H 0.1347 0.1351 0.2020 0.041 Uiso 1 1 calc R
C16 C 0.14781(10) 0.1909(5) 0.14962(8) 0.0361(7) Uani 1 1 d .
H16A H 0.1792 0.2071 0.1565 0.043 Uiso 1 1 calc R
C17 C 0.04580(9) 0.0864(4) 0.19827(8) 0.0265(5) Uani 1 1 d .
C18 C 0.35116(9) 0.2647(4) 0.14304(7) 0.0257(5) Uani 1 1 d .
H18A H 0.3558 0.3296 0.1203 0.031 Uiso 1 1 calc R
H18B H 0.3645 0.1439 0.1421 0.031 Uiso 1 1 calc R
C19 C 0.37569(9) 0.3663(4) 0.17742(7) 0.0244(5) Uani 1 1 d .
C20 C 0.28849(9) 0.1097(3) 0.16965(7) 0.0225(5) Uani 1 1 d .
H20A H 0.3159 0.0564 0.1838 0.027 Uiso 1 1 calc R
H20B H 0.2723 0.0129 0.1546 0.027 Uiso 1 1 calc R
C21 C 0.25843(9) 0.1769(3) 0.19756(7) 0.0218(5) Uani 1 1 d .
C22 C 0.08326(16) -0.3967(6) 0.20050(16) 0.0647(12) Uani 1 1 d .
C23 C 0.12404(19) -0.4125(9) 0.23657(15) 0.0783(15) Uani 1 1 d .
H23A H 0.1182 -0.3340 0.2572 0.094 Uiso 1 1 calc R
H23B H 0.1278 -0.5374 0.2456 0.094 Uiso 1 1 calc R
C24 C 0.1635(2) -0.3519(12) 0.2208(2) 0.117(3) Uani 1 1 d .
H24A H 0.1884 -0.4387 0.2270 0.141 Uiso 1 1 calc R
H24B H 0.1737 -0.2345 0.2315 0.141 Uiso 1 1 calc R
C25 C 0.15160(15) -0.3345(7) 0.17754(15) 0.0650(12) Uani 1 1 d .
H25A H 0.1606 -0.2167 0.1687 0.078 Uiso 1 1 calc R
H25B H 0.1656 -0.4310 0.1646 0.078 Uiso 1 1 calc R
C26 C 0.07481(19) -0.3413(7) 0.13712(13) 0.0727(13) Uani 1 1 d .
H26A H 0.0429 -0.3556 0.1390 0.109 Uiso 1 1 calc R
H26B H 0.0840 -0.4354 0.1211 0.109 Uiso 1 1 calc R
H26C H 0.0797 -0.2238 0.1265 0.109 Uiso 1 1 calc R
C27 C 0.4236(2) 0.0004(14) -0.0020(2) 0.112(3) Uani 1 1 d .
C28 C 0.4124(4) -0.1641(14) -0.0309(2) 0.142(3) Uani 1 1 d .
H28A H 0.3805 -0.2000 -0.0328 0.171 Uiso 1 1 calc R
H28B H 0.4186 -0.1301 -0.0558 0.171 Uiso 1 1 calc R
C29 C 0.4421(8) -0.311(2) -0.0154(5) 0.276(10) Uani 1 1 d .
H29A H 0.4662 -0.3309 -0.0306 0.332 Uiso 1 1 calc R
H29B H 0.4250 -0.4230 -0.0144 0.332 Uiso 1 1 calc R
C30 C 0.4631(4) -0.2451(17) 0.0258(3) 0.176(5) Uani 1 1 d .
H30A H 0.4516 -0.3165 0.0452 0.211 Uiso 1 1 calc R
H30B H 0.4963 -0.2479 0.0298 0.211 Uiso 1 1 calc R
C31 C 0.4596(4) 0.045(2) 0.0600(3) 0.239(9) Uani 1 1 d .
H31A H 0.4454 0.1628 0.0566 0.358 Uiso 1 1 calc R
H31B H 0.4923 0.0592 0.0648 0.358 Uiso 1 1 calc R
H31C H 0.4495 -0.0160 0.0810 0.358 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
O1 Zn1 O8 123.69(9) 7_565 .
O1 Zn1 O5 120.43(9) 7_565 .
O8 Zn1 O5 104.94(9) . .
O1 Zn1 O11 103.34(9) 7_565 .
O8 Zn1 O11 98.13(8) . .
O5 Zn1 O11 101.30(9) . .
O4 Zn2 O3 147.40(9) 4 3
O4 Zn2 O12 99.50(10) 4 .
O3 Zn2 O12 95.47(10) 3 .
O4 Zn2 O6 115.52(9) 4 .
O3 Zn2 O6 91.87(9) 3 .
O12 Zn2 O6 94.24(9) . .
O4 Zn2 O13 80.88(7) 4 .
O3 Zn2 O13 82.61(7) 3 .
O12 Zn2 O13 176.66(8) . .
O6 Zn2 O13 88.56(8) . .
C1 N1 C2 113.9(2) . .
C2 N2 C3 113.5(2) . .
C3 N3 C1 113.6(2) . .
C2 N4 C4 132.0(2) . .
C2 N4 H4A 114.0 . .
C4 N4 H4A 114.0 . .
C3 N5 C11 129.6(2) . .
C3 N5 H5A 115.2 . .
C11 N5 H5A 115.2 . .
C1 N6 C18 119.8(2) . .
C1 N6 C20 116.2(2) . .
C18 N6 C20 116.6(2) . .
C22 N7 C26 122.0(5) . .
C22 N7 C25 117.8(5) . .
C26 N7 C25 120.0(5) . .
C27 N8 C30 126.8(13) . .
C27 N8 C31 117.9(11) . .
C30 N8 C31 115.3(10) . .
C10 O1 Zn1 120.31(19) . 7_565
C17 O3 Zn2 131.02(19) . 3_445
C17 O4 Zn2 134.27(18) . 4_545
C19 O5 Zn1 123.93(18) . .
C19 O6 Zn2 116.19(19) . .
C21 O8 Zn1 124.00(17) . .
Zn2 O13 Zn2 86.31(11) 2_655 .
N1 C1 N3 126.4(2) . .
N1 C1 N6 118.7(2) . .
N3 C1 N6 114.9(2) . .
N2 C2 N1 126.0(2) . .
N2 C2 N4 121.1(2) . .
N1 C2 N4 112.9(2) . .
N3 C3 N2 126.6(2) . .
N3 C3 N5 119.7(2) . .
N2 C3 N5 113.7(2) . .
C9 C4 N4 125.5(2) . .
C9 C4 C5 119.5(2) . .
N4 C4 C5 114.9(2) . .
C6 C5 C4 120.7(3) . .
C6 C5 H5B 119.7 . .
C4 C5 H5B 119.7 . .
C5 C6 C7 120.4(3) . .
C5 C6 H6A 119.8 . .
C7 C6 H6A 119.8 . .
C8 C7 C6 118.6(2) . .
C8 C7 C10 121.5(3) . .
C6 C7 C10 119.8(2) . .
C7 C8 C9 121.8(3) . .
C7 C8 H8A 119.1 . .
C9 C8 H8A 119.1 . .
C4 C9 C8 119.0(3) . .
C4 C9 H9A 120.5 . .
C8 C9 H9A 120.5 . .
O2 C10 O1 124.0(3) . .
O2 C10 C7 120.8(3) . .
O1 C10 C7 115.2(3) . .
C16 C11 N5 124.3(2) . .
C16 C11 C12 118.4(2) . .
N5 C11 C12 117.2(2) . .
C13 C12 C11 120.5(3) . .
C13 C12 H12A 119.7 . .
C11 C12 H12A 119.7 . .
C14 C13 C12 121.1(3) . .
C14 C13 H13A 119.4 . .
C12 C13 H13A 119.4 . .
C15 C14 C13 118.1(2) . .
C15 C14 C17 120.0(2) . .
C13 C14 C17 121.8(2) . .
C14 C15 C16 121.4(3) . .
C14 C15 H15A 119.3 . .
C16 C15 H15A 119.3 . .
C11 C16 C15 120.4(3) . .
C11 C16 H16A 119.8 . .
C15 C16 H16A 119.8 . .
O4 C17 O3 125.9(2) . .
O4 C17 C14 117.2(2) . .
O3 C17 C14 116.9(2) . .
N6 C18 C19 112.4(2) . .
N6 C18 H18A 109.1 . .
C19 C18 H18A 109.1 . .
N6 C18 H18B 109.1 . .
C19 C18 H18B 109.1 . .
H18A C18 H18B 107.9 . .
O5 C19 O6 122.1(3) . .
O5 C19 C18 121.5(2) . .
O6 C19 C18 116.4(2) . .
N6 C20 C21 116.2(2) . .
N6 C20 H20A 108.2 . .
C21 C20 H20A 108.2 . .
N6 C20 H20B 108.2 . .
C21 C20 H20B 108.2 . .
H20A C20 H20B 107.4 . .
O7 C21 O8 123.2(2) . .
O7 C21 C20 115.8(2) . .
O8 C21 C20 121.0(2) . .
O9 C22 N7 129.9(6) . .
O9 C22 C23 121.8(5) . .
N7 C22 C23 108.2(4) . .
C24 C23 C22 102.3(5) . .
C24 C23 H23A 111.3 . .
C22 C23 H23A 111.3 . .
C24 C23 H23B 111.3 . .
C22 C23 H23B 111.3 . .
H23A C23 H23B 109.2 . .
C23 C24 C25 110.1(5) . .
C23 C24 H24A 109.6 . .
C25 C24 H24A 109.6 . .
C23 C24 H24B 109.6 . .
C25 C24 H24B 109.6 . .
H24A C24 H24B 108.2 . .
N7 C25 C24 100.4(4) . .
N7 C25 H25A 111.7 . .
C24 C25 H25A 111.7 . .
N7 C25 H25B 111.7 . .
C24 C25 H25B 111.7 . .
H25A C25 H25B 109.5 . .
N7 C26 H26A 109.5 . .
N7 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N7 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N8 C27 O10 135.5(11) . .
N8 C27 C28 102.9(10) . .
O10 C27 C28 121.6(6) . .
C29 C28 C27 104.9(9) . .
C29 C28 H28A 110.7 . .
C27 C28 H28A 110.8 . .
C29 C28 H28B 110.8 . .
C27 C28 H28B 110.8 . .
H28A C28 H28B 108.8 . .
C28 C29 C30 105.2(11) . .
C28 C29 H29A 110.7 . .
C30 C29 H29A 110.7 . .
C28 C29 H29B 110.7 . .
C30 C29 H29B 110.8 . .
H29A C29 H29B 108.8 . .
N8 C30 C29 98.9(9) . .
N8 C30 H30A 112.0 . .
C29 C30 H30A 111.9 . .
N8 C30 H30B 112.0 . .
C29 C30 H30B 112.0 . .
H30A C30 H30B 109.7 . .
N8 C31 H31A 109.5 . .
N8 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N8 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.9145(19) 7_565
Zn1 O8 1.9585(19) .
Zn1 O5 1.974(2) .
Zn1 O11 1.995(2) .
Zn2 O4 1.960(2) 4
Zn2 O3 1.977(2) 3
Zn2 O12 2.065(3) .
Zn2 O6 2.064(2) .
Zn2 O13 2.433(2) .
N1 C1 1.323(3) .
N1 C2 1.354(3) .
N2 C2 1.335(3) .
N2 C3 1.347(3) .
N3 C3 1.330(3) .
N3 C1 1.349(3) .
N4 C2 1.359(3) .
N4 C4 1.399(3) .
N4 H4A 0.8600 .
N5 C3 1.369(3) .
N5 C11 1.407(3) .
N5 H5A 0.8600 .
N6 C1 1.385(3) .
N6 C18 1.451(3) .
N6 C20 1.465(3) .
N7 C22 1.223(6) .
N7 C26 1.381(6) .
N7 C25 1.502(6) .
N8 C27 1.178(9) .
N8 C30 1.375(14) .
N8 C31 1.532(14) .
O1 C10 1.283(4) .
O1 Zn1 1.9145(19) 7_565
O2 C10 1.237(4) .
O3 C17 1.267(3) .
O3 Zn2 1.977(2) 3_445
O4 C17 1.260(3) .
O4 Zn2 1.960(2) 4_545
O5 C19 1.247(3) .
O6 C19 1.267(3) .
O7 C21 1.247(3) .
O8 C21 1.266(3) .
O9 C22 1.213(5) .
O10 C27 1.291(9) .
O13 Zn2 2.433(2) 2_655
C4 C9 1.391(4) .
C4 C5 1.398(4) .
C5 C6 1.377(4) .
C5 H5B 0.9300 .
C6 C7 1.393(4) .
C6 H6A 0.9300 .
C7 C8 1.386(4) .
C7 C10 1.496(4) .
C8 C9 1.390(4) .
C8 H8A 0.9300 .
C9 H9A 0.9300 .
C11 C16 1.391(4) .
C11 C12 1.398(4) .
C12 C13 1.383(4) .
C12 H12A 0.9300 .
C13 C14 1.389(4) .
C13 H13A 0.9300 .
C14 C15 1.385(4) .
C14 C17 1.496(3) .
C15 C16 1.385(4) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C18 C19 1.522(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C20 C21 1.515(3) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C22 C23 1.629(8) .
C23 C24 1.442(9) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.537(9) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.589(12) .
C28 C29 1.442(16) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.582(17) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
