#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:12:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180470 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/39/7213958.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_7213958
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            'C30 H39 N9 O13 Zn2'
_chemical_formula_weight         864.44
_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                103.897(4)
_cell_angle_beta                 96.463(2)
_cell_angle_gamma                98.338(4)
_cell_formula_units_Z            2
_cell_length_a                   8.8692(7)
_cell_length_b                   13.3176(14)
_cell_length_c                   15.8973(15)
_cell_measurement_reflns_used    5164
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4778
_cell_measurement_theta_min      2.3374
_cell_volume                     1782.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Saturn724
_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  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0669
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19056
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    1.424
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.7553
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         8079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0695P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1317
_reflns_number_gt                6434
_reflns_number_total             8079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42045k.txt
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7213958
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 0.32576(4) 0.01064(3) 0.36664(2) 0.01616(11) Uani 1 1 d .
Zn2 Zn 0.64758(4) 0.30991(3) 0.54802(2) 0.01842(11) Uani 1 1 d .
O1 O 1.1928(3) 0.6191(2) 0.33768(16) 0.0336(6) Uani 1 1 d .
O2 O 1.1847(3) 0.5376(2) 0.44087(17) 0.0347(6) Uani 1 1 d .
O3 O -0.2390(2) -0.07576(18) -0.27471(14) 0.0224(5) Uani 1 1 d .
O4 O -0.0996(3) 0.07670(18) -0.26898(14) 0.0256(5) Uani 1 1 d .
O5 O 0.5059(2) 0.12516(17) 0.42438(14) 0.0214(5) Uani 1 1 d .
O6 O 0.7458(2) 0.21071(16) 0.46642(13) 0.0187(5) Uani 1 1 d .
O7 O 0.3756(2) -0.12075(17) 0.38697(14) 0.0207(5) Uani 1 1 d .
O8 O 0.5010(2) -0.25427(17) 0.38014(14) 0.0202(5) Uani 1 1 d .
O9 O 0.2074(2) 0.06544(16) 0.46486(13) 0.0194(5) Uani 1 1 d .
O10 O 0.4970(3) 0.35750(18) 0.46667(15) 0.0240(5) Uani 1 1 d .
O11 O 0.5018(3) 0.3080(2) 0.00715(18) 0.0401(7) Uani 1 1 d .
O12 O 0.2180(3) -0.29228(19) 0.05060(15) 0.0299(6) Uani 1 1 d .
O13 O -0.1064(5) 0.2852(2) -0.20520(18) 0.0672(11) Uani 1 1 d .
N1 N 0.4474(3) -0.05584(19) 0.16124(16) 0.0153(5) Uani 1 1 d .
N2 N 0.4538(3) 0.0889(2) 0.09574(16) 0.0158(5) Uani 1 1 d .
N3 N 0.6151(3) 0.10829(19) 0.23184(15) 0.0159(5) Uani 1 1 d .
N4 N 0.6324(3) 0.23761(19) 0.15529(15) 0.0155(5) Uani 1 1 d .
H4A H 0.5920 0.2566 0.1111 0.019 Uiso 1 1 calc R
N5 N 0.2818(3) -0.07044(19) 0.03761(15) 0.0149(5) Uani 1 1 d .
H5A H 0.2601 -0.1340 0.0416 0.018 Uiso 1 1 calc R
N6 N 0.5940(3) -0.0277(2) 0.29822(16) 0.0193(5) Uani 1 1 d .
N7 N 0.1247(3) 0.2123(2) 0.53548(17) 0.0193(5) Uani 1 1 d .
N8 N 0.2905(4) 0.3767(3) -0.0294(2) 0.0395(8) Uani 1 1 d .
N9 N 0.4619(3) 0.4099(2) 0.34189(17) 0.0224(6) Uani 1 1 d .
C1 C 0.5502(3) 0.0085(2) 0.22582(19) 0.0164(6) Uani 1 1 d .
C2 C 0.5657(3) 0.1414(2) 0.16242(18) 0.0144(6) Uani 1 1 d .
C3 C 0.3980(3) -0.0085(2) 0.09906(18) 0.0137(6) Uani 1 1 d .
C4 C 0.7566(3) 0.3097(2) 0.20910(19) 0.0149(6) Uani 1 1 d .
C5 C 0.8388(3) 0.3817(2) 0.1720(2) 0.0192(6) Uani 1 1 d .
H5B H 0.8122 0.3780 0.1129 0.023 Uiso 1 1 calc R
C6 C 0.9585(4) 0.4577(2) 0.2220(2) 0.0213(7) Uani 1 1 d .
H6A H 1.0110 0.5055 0.1966 0.026 Uiso 1 1 calc R
C7 C 1.0018(3) 0.4635(2) 0.3104(2) 0.0193(6) Uani 1 1 d .
C8 C 0.9200(4) 0.3925(3) 0.3468(2) 0.0232(7) Uani 1 1 d .
H8A H 0.9472 0.3962 0.4058 0.028 Uiso 1 1 calc R
C9 C 0.7985(4) 0.3162(2) 0.29760(19) 0.0210(7) Uani 1 1 d .
H9A H 0.7450 0.2694 0.3235 0.025 Uiso 1 1 calc R
C10 C 1.1330(4) 0.5442(3) 0.3662(2) 0.0260(7) Uani 1 1 d .
C11 C 0.1906(3) -0.0482(2) -0.03178(18) 0.0147(6) Uani 1 1 d .
C12 C 0.2219(4) 0.0420(3) -0.06188(19) 0.0195(6) Uani 1 1 d .
H12A H 0.3093 0.0926 -0.0366 0.023 Uiso 1 1 calc R
C13 C 0.1203(4) 0.0547(2) -0.1300(2) 0.0197(6) Uani 1 1 d .
H13A H 0.1408 0.1148 -0.1498 0.024 Uiso 1 1 calc R
C14 C -0.0102(3) -0.0191(2) -0.16955(19) 0.0180(6) Uani 1 1 d .
C15 C -0.0377(4) -0.1100(3) -0.1400(2) 0.0212(7) Uani 1 1 d .
H15A H -0.1239 -0.1613 -0.1662 0.025 Uiso 1 1 calc R
C16 C 0.0617(4) -0.1243(2) -0.0723(2) 0.0206(7) Uani 1 1 d .
H16A H 0.0423 -0.1853 -0.0537 0.025 Uiso 1 1 calc R
C17 C -0.1220(3) -0.0041(3) -0.24137(19) 0.0193(6) Uani 1 1 d .
C18 C 0.7100(4) 0.0416(2) 0.36819(19) 0.0195(6) Uani 1 1 d .
H18A H 0.7960 0.0693 0.3428 0.023 Uiso 1 1 calc R
H18B H 0.7483 0.0011 0.4065 0.023 Uiso 1 1 calc R
C19 C 0.6482(3) 0.1322(2) 0.42205(18) 0.0172(6) Uani 1 1 d .
C20 C 0.5697(4) -0.1395(2) 0.29168(19) 0.0203(7) Uani 1 1 d .
H20A H 0.6693 -0.1609 0.2991 0.024 Uiso 1 1 calc R
H20B H 0.5172 -0.1770 0.2333 0.024 Uiso 1 1 calc R
C21 C 0.4758(3) -0.1719(2) 0.35862(19) 0.0183(6) Uani 1 1 d .
C22 C 0.2043(3) 0.1620(2) 0.48030(19) 0.0190(6) Uani 1 1 d .
H22A H 0.2632 0.2007 0.4502 0.023 Uiso 1 1 calc R
C23 C 0.0322(4) 0.1596(3) 0.5886(2) 0.0237(7) Uani 1 1 d .
H23A H 0.0376 0.0861 0.5738 0.036 Uiso 1 1 calc R
H23B H -0.0731 0.1682 0.5773 0.036 Uiso 1 1 calc R
H23C H 0.0717 0.1901 0.6497 0.036 Uiso 1 1 calc R
C24 C 0.1283(4) 0.3233(3) 0.5495(2) 0.0305(8) Uani 1 1 d .
H24A H 0.1917 0.3494 0.5115 0.046 Uiso 1 1 calc R
H24B H 0.1701 0.3586 0.6094 0.046 Uiso 1 1 calc R
H24C H 0.0255 0.3362 0.5368 0.046 Uiso 1 1 calc R
C25 C 0.3737(5) 0.3295(3) 0.0181(3) 0.0392(9) Uani 1 1 d .
H25A H 0.3315 0.3108 0.0643 0.047 Uiso 1 1 calc R
C26 C 0.1486(6) 0.4086(5) -0.0068(5) 0.0835(19) Uani 1 1 d .
H26A H 0.1251 0.3873 0.0445 0.125 Uiso 1 1 calc R
H26B H 0.0665 0.3760 -0.0547 0.125 Uiso 1 1 calc R
H26C H 0.1596 0.4836 0.0047 0.125 Uiso 1 1 calc R
C27 C 0.3457(6) 0.4043(4) -0.1049(3) 0.0667(15) Uani 1 1 d .
H27A H 0.4425 0.3816 -0.1120 0.100 Uiso 1 1 calc R
H27B H 0.3594 0.4792 -0.0962 0.100 Uiso 1 1 calc R
H27C H 0.2718 0.3705 -0.1566 0.100 Uiso 1 1 calc R
C28 C 0.5374(4) 0.4158(3) 0.4194(2) 0.0228(7) Uani 1 1 d .
H28A H 0.6264 0.4663 0.4402 0.027 Uiso 1 1 calc R
C29 C 0.3293(4) 0.3270(3) 0.3027(3) 0.0369(9) Uani 1 1 d .
H29A H 0.3097 0.2845 0.3426 0.055 Uiso 1 1 calc R
H29B H 0.3501 0.2841 0.2490 0.055 Uiso 1 1 calc R
H29C H 0.2406 0.3579 0.2907 0.055 Uiso 1 1 calc R
C30 C 0.5092(4) 0.4825(3) 0.2904(2) 0.0323(8) Uani 1 1 d .
H30A H 0.5973 0.5331 0.3230 0.049 Uiso 1 1 calc R
H30B H 0.4260 0.5181 0.2780 0.049 Uiso 1 1 calc R
H30C H 0.5353 0.4442 0.2364 0.049 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
O7 Zn1 O5 107.75(9) . .
O7 Zn1 O3 143.64(9) . 2
O5 Zn1 O3 98.48(9) . 2
O7 Zn1 O9 104.43(9) . .
O5 Zn1 O9 89.63(9) . .
O3 Zn1 O9 100.38(9) 2 .
O7 Zn1 O4 92.48(8) . 2
O5 Zn1 O4 158.24(8) . 2
O3 Zn1 O4 59.79(8) 2 2
O9 Zn1 O4 93.05(8) . 2
O7 Zn1 C17 119.38(10) . 2
O5 Zn1 C17 128.58(10) . 2
O3 Zn1 C17 30.12(10) 2 2
O9 Zn1 C17 97.15(9) . 2
O4 Zn1 C17 29.68(9) 2 2
O6 Zn2 O8 119.70(9) . 2_656
O6 Zn2 O10 103.49(9) . .
O8 Zn2 O10 98.91(9) 2_656 .
O6 Zn2 O1 108.44(9) . 2_766
O8 Zn2 O1 90.10(9) 2_656 2_766
O10 Zn2 O1 136.63(10) . 2_766
O6 Zn2 O2 98.82(9) . 2_766
O8 Zn2 O2 137.54(9) 2_656 2_766
O10 Zn2 O2 87.84(9) . 2_766
O1 Zn2 O2 59.19(9) 2_766 2_766
O6 Zn2 C10 105.21(9) . 2_766
O8 Zn2 C10 115.53(10) 2_656 2_766
O10 Zn2 C10 113.46(10) . 2_766
O1 Zn2 C10 29.74(11) 2_766 2_766
O2 Zn2 C10 29.45(10) 2_766 2_766
C10 O1 Zn2 94.8(2) . 2_766
C10 O2 Zn2 86.3(2) . 2_766
C17 O3 Zn1 97.39(18) . 2
C17 O4 Zn1 82.04(18) . 2
C19 O5 Zn1 132.3(2) . .
C19 O6 Zn2 111.12(19) . .
C21 O7 Zn1 129.5(2) . .
C21 O8 Zn2 115.7(2) . 2_656
C22 O9 Zn1 114.54(18) . .
C28 O10 Zn2 123.5(2) . .
C1 N1 C3 112.9(2) . .
C3 N2 C2 114.1(2) . .
C2 N3 C1 112.7(2) . .
C2 N4 C4 129.6(2) . .
C2 N4 H4A 115.2 . .
C4 N4 H4A 115.2 . .
C3 N5 C11 130.8(2) . .
C3 N5 H5A 114.6 . .
C11 N5 H5A 114.6 . .
C1 N6 C20 120.3(2) . .
C1 N6 C18 117.9(2) . .
C20 N6 C18 118.3(2) . .
C22 N7 C24 121.4(3) . .
C22 N7 C23 122.0(3) . .
C24 N7 C23 116.6(3) . .
C25 N8 C26 122.8(4) . .
C25 N8 C27 120.0(4) . .
C26 N8 C27 117.1(4) . .
C28 N9 C29 120.6(3) . .
C28 N9 C30 122.2(3) . .
C29 N9 C30 117.2(3) . .
N1 C1 N3 127.6(3) . .
N1 C1 N6 117.8(3) . .
N3 C1 N6 114.5(3) . .
N3 C2 N2 126.5(3) . .
N3 C2 N4 119.3(3) . .
N2 C2 N4 114.2(2) . .
N2 C3 N5 121.1(2) . .
N2 C3 N1 125.7(3) . .
N5 C3 N1 113.3(2) . .
C9 C4 N4 123.6(3) . .
C9 C4 C5 118.8(3) . .
N4 C4 C5 117.6(3) . .
C6 C5 C4 120.8(3) . .
C6 C5 H5B 119.6 . .
C4 C5 H5B 119.6 . .
C5 C6 C7 120.5(3) . .
C5 C6 H6A 119.7 . .
C7 C6 H6A 119.7 . .
C8 C7 C6 118.5(3) . .
C8 C7 C10 119.7(3) . .
C6 C7 C10 121.8(3) . .
C7 C8 C9 121.7(3) . .
C7 C8 H8A 119.2 . .
C9 C8 H8A 119.2 . .
C8 C9 C4 119.7(3) . .
C8 C9 H9A 120.1 . .
C4 C9 H9A 120.1 . .
O2 C10 O1 119.7(3) . .
O2 C10 C7 120.3(3) . .
O1 C10 C7 120.0(3) . .
O2 C10 Zn2 64.28(18) . 2_766
O1 C10 Zn2 55.42(17) . 2_766
C7 C10 Zn2 175.3(3) . 2_766
C16 C11 C12 119.5(3) . .
C16 C11 N5 115.5(3) . .
C12 C11 N5 125.0(3) . .
C13 C12 C11 118.9(3) . .
C13 C12 H12A 120.5 . .
C11 C12 H12A 120.5 . .
C14 C13 C12 122.2(3) . .
C14 C13 H13A 118.9 . .
C12 C13 H13A 118.9 . .
C13 C14 C15 118.1(3) . .
C13 C14 C17 122.2(3) . .
C15 C14 C17 119.7(3) . .
C16 C15 C14 120.7(3) . .
C16 C15 H15A 119.6 . .
C14 C15 H15A 119.6 . .
C15 C16 C11 120.6(3) . .
C15 C16 H16A 119.7 . .
C11 C16 H16A 119.7 . .
O4 C17 O3 120.7(3) . .
O4 C17 C14 120.8(3) . .
O3 C17 C14 118.5(3) . .
O4 C17 Zn1 68.28(16) . 2
O3 C17 Zn1 52.48(14) . 2
C14 C17 Zn1 170.6(2) . 2
N6 C18 C19 112.8(2) . .
N6 C18 H18A 109.0 . .
C19 C18 H18A 109.0 . .
N6 C18 H18B 109.0 . .
C19 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
O5 C19 O6 122.8(3) . .
O5 C19 C18 120.1(3) . .
O6 C19 C18 117.0(3) . .
N6 C20 C21 114.1(3) . .
N6 C20 H20A 108.7 . .
C21 C20 H20A 108.7 . .
N6 C20 H20B 108.7 . .
C21 C20 H20B 108.7 . .
H20A C20 H20B 107.6 . .
O7 C21 O8 123.2(3) . .
O7 C21 C20 120.5(3) . .
O8 C21 C20 116.2(3) . .
O9 C22 N7 125.0(3) . .
O9 C22 H22A 117.5 . .
N7 C22 H22A 117.5 . .
N7 C23 H23A 109.5 . .
N7 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N7 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N7 C24 H24A 109.5 . .
N7 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N7 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O11 C25 N8 126.4(4) . .
O11 C25 H25A 116.8 . .
N8 C25 H25A 116.8 . .
N8 C26 H26A 109.5 . .
N8 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N8 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N8 C27 H27A 109.5 . .
N8 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N8 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O10 C28 N9 123.9(3) . .
O10 C28 H28A 118.1 . .
N9 C28 H28A 118.1 . .
N9 C29 H29A 109.5 . .
N9 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N9 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N9 C30 H30A 109.5 . .
N9 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N9 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 1.956(2) .
Zn1 O5 2.003(2) .
Zn1 O3 2.007(2) 2
Zn1 O9 2.029(2) .
Zn1 O4 2.354(2) 2
Zn1 C17 2.510(3) 2
Zn2 O6 1.988(2) .
Zn2 O8 2.013(2) 2_656
Zn2 O10 2.027(2) .
Zn2 O1 2.099(2) 2_766
Zn2 O2 2.294(3) 2_766
Zn2 C10 2.541(3) 2_766
O1 C10 1.265(4) .
O1 Zn2 2.099(2) 2_766
O2 C10 1.252(4) .
O2 Zn2 2.294(3) 2_766
O3 C17 1.270(4) .
O3 Zn1 2.007(2) 2
O4 C17 1.255(4) .
O4 Zn1 2.354(2) 2
O5 C19 1.257(4) .
O6 C19 1.259(4) .
O7 C21 1.255(4) .
O8 C21 1.266(4) .
O8 Zn2 2.013(2) 2_656
O9 C22 1.254(4) .
O10 C28 1.247(4) .
O11 C25 1.232(5) .
N1 C1 1.326(4) .
N1 C3 1.360(3) .
N2 C3 1.335(4) .
N2 C2 1.343(4) .
N3 C2 1.336(3) .
N3 C1 1.346(4) .
N4 C2 1.367(4) .
N4 C4 1.398(4) .
N4 H4A 0.8600 .
N5 C3 1.355(4) .
N5 C11 1.409(3) .
N5 H5A 0.8600 .
N6 C1 1.388(4) .
N6 C20 1.450(4) .
N6 C18 1.456(4) .
N7 C22 1.308(4) .
N7 C24 1.437(4) .
N7 C23 1.467(4) .
N8 C25 1.322(5) .
N8 C26 1.441(6) .
N8 C27 1.453(6) .
N9 C28 1.314(4) .
N9 C29 1.456(4) .
N9 C30 1.456(4) .
C4 C9 1.393(4) .
C4 C5 1.401(4) .
C5 C6 1.377(4) .
C5 H5B 0.9300 .
C6 C7 1.395(4) .
C6 H6A 0.9300 .
C7 C8 1.383(4) .
C7 C10 1.497(4) .
C8 C9 1.385(4) .
C8 H8A 0.9300 .
C9 H9A 0.9300 .
C10 Zn2 2.541(3) 2_766
C11 C16 1.391(4) .
C11 C12 1.398(4) .
C12 C13 1.388(4) .
C12 H12A 0.9300 .
C13 C14 1.382(4) .
C13 H13A 0.9300 .
C14 C15 1.400(4) .
C14 C17 1.496(4) .
C15 C16 1.379(4) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 Zn1 2.510(3) 2
C18 C19 1.513(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C20 C21 1.526(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C22 H22A 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
