#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/39/7213959.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_7213959
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            'C24 H26 N7 O12 Zn2.5'
_chemical_formula_weight         767.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.905(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.915(5)
_cell_length_b                   9.686(3)
_cell_length_c                   17.400(5)
_cell_measurement_reflns_used    6564
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4816
_cell_measurement_theta_min      2.4042
_cell_volume                     2727.6(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  CCD
_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  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18009
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    2.269
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6993
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         3.470
_refine_diff_density_min         -2.629
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         4751
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0797
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1221P)²+20.9105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2083
_refine_ls_wR_factor_ref         0.2169
_reflns_number_gt                4160
_reflns_number_total             4751
_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        2727.5(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C24 H26 N7 O12 Zn2.50'
_cod_database_code               7213959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.5000 -1.0000 0.0000 0.0226(3) Uani 1 2 d S . .
Zn2 Zn 0.60478(5) -0.25291(7) 0.12268(5) 0.0222(3) Uani 1 1 d . . .
Zn3 Zn 0.58967(6) -0.73326(10) 0.00957(7) 0.0429(3) Uani 1 1 d D . .
N1 N 0.7873(4) -0.6423(6) 0.0093(3) 0.0254(12) Uani 1 1 d . . .
N2 N 0.8407(4) -0.7767(7) -0.0798(4) 0.0276(13) Uani 1 1 d . . .
N3 N 0.7997(4) -0.8877(6) 0.0255(4) 0.0293(13) Uani 1 1 d . . .
N4 N 0.8617(5) -1.0104(7) -0.0528(5) 0.050(2) Uani 1 1 d . . .
H4A H 0.8558 -1.0795 -0.0239 0.060 Uiso 1 1 calc R . .
N5 N 0.8133(5) -0.5404(8) -0.0988(4) 0.0442(18) Uani 1 1 d . . .
H5A H 0.7988 -0.4675 -0.0781 0.053 Uiso 1 1 calc R . .
N6 N 0.7484(4) -0.7499(5) 0.1107(4) 0.0222(12) Uani 1 1 d . . .
O1 O 1.0697(4) -1.2436(6) -0.2785(4) 0.0439(15) Uani 1 1 d . . .
O2 O 1.0056(8) -1.0737(8) -0.3541(6) 0.104(4) Uani 1 1 d . . .
O3 O 0.9507(3) -0.4990(5) -0.4042(3) 0.0320(12) Uani 1 1 d . . .
O4 O 0.8778(4) -0.3013(6) -0.4174(3) 0.0394(13) Uani 1 1 d . . .
O5 O 0.6213(3) -0.5517(6) 0.0507(3) 0.0403(14) Uani 1 1 d . . .
O6 O 0.6928(3) -0.3944(5) 0.1344(3) 0.0274(10) Uani 1 1 d . . .
O7 O 0.6859(3) -1.0934(5) 0.1483(3) 0.0261(10) Uani 1 1 d . . .
O8 O 0.6144(3) -0.9234(5) 0.0735(3) 0.0292(11) Uani 1 1 d . . .
O9 O 0.4715(3) -0.7899(5) -0.0172(3) 0.0211(9) Uani 1 1 d . . .
O11 O 0.5642(18) -0.710(3) 0.1180(10) 0.260(12) Uani 1 1 d DU . .
O12 O 1.1146(9) -1.1746(8) -0.5762(5) 0.115(5) Uani 1 1 d . . .
C1 C 0.8136(4) -0.6598(8) -0.0564(4) 0.0294(15) Uani 1 1 d . . .
C2 C 0.8317(5) -0.8874(8) -0.0361(4) 0.0306(16) Uani 1 1 d . . .
C3 C 0.7804(4) -0.7601(6) 0.0456(4) 0.0195(13) Uani 1 1 d . . .
C4 C 0.9017(5) -1.0378(8) -0.1123(5) 0.0374(18) Uani 1 1 d . . .
C5 C 0.9690(6) -1.1275(10) -0.0941(6) 0.049(2) Uani 1 1 d . . .
H5B H 0.9887 -1.1649 -0.0428 0.059 Uiso 1 1 calc R . .
C6 C 1.0060(5) -1.1602(9) -0.1518(5) 0.043(2) Uani 1 1 d . . .
H6A H 1.0496 -1.2228 -0.1399 0.052 Uiso 1 1 calc R . .
C7 C 0.9798(5) -1.1019(8) -0.2278(5) 0.0392(19) Uani 1 1 d . . .
C8 C 0.9139(6) -1.0134(9) -0.2442(5) 0.046(2) Uani 1 1 d . . .
H8A H 0.8960 -0.9718 -0.2945 0.055 Uiso 1 1 calc R . .
C9 C 0.8733(6) -0.9844(9) -0.1872(5) 0.044(2) Uani 1 1 d . . .
H9B H 0.8266 -0.9284 -0.2005 0.053 Uiso 1 1 calc R . .
C10 C 1.0213(7) -1.1407(10) -0.2898(7) 0.057(3) Uani 1 1 d . . .
C11 C 0.8334(6) -0.5192(9) -0.1720(5) 0.0384(19) Uani 1 1 d . . .
C12 C 0.8587(8) -0.6211(10) -0.2146(6) 0.061(3) Uani 1 1 d . . .
H12A H 0.8614 -0.7123 -0.1973 0.073 Uiso 1 1 calc R . .
C13 C 0.8802(7) -0.5871(10) -0.2843(6) 0.055(3) Uani 1 1 d . . .
H13A H 0.8991 -0.6556 -0.3120 0.066 Uiso 1 1 calc R . .
C14 C 0.8737(5) -0.4528(9) -0.3121(5) 0.0363(17) Uani 1 1 d . . .
C15 C 0.8431(5) -0.3537(9) -0.2719(4) 0.0318(16) Uani 1 1 d . . .
H15A H 0.8352 -0.2641 -0.2920 0.038 Uiso 1 1 calc R . .
C16 C 0.8237(5) -0.3861(8) -0.2016(4) 0.0324(16) Uani 1 1 d . . .
H16A H 0.8042 -0.3176 -0.1744 0.039 Uiso 1 1 calc R . .
C17 C 0.9024(5) -0.4159(8) -0.3838(4) 0.0310(16) Uani 1 1 d . . .
C18 C 0.7512(4) -0.6153(7) 0.1485(4) 0.0220(13) Uani 1 1 d . . .
H18A H 0.8039 -0.5726 0.1515 0.026 Uiso 1 1 calc R . .
H18B H 0.7491 -0.6288 0.2031 0.026 Uiso 1 1 calc R . .
C19 C 0.6823(4) -0.5152(7) 0.1063(4) 0.0248(14) Uani 1 1 d . . .
C20 C 0.7492(4) -0.8735(7) 0.1581(4) 0.0232(14) Uani 1 1 d . . .
H20A H 0.7482 -0.8464 0.2115 0.028 Uiso 1 1 calc R . .
H20B H 0.8005 -0.9226 0.1636 0.028 Uiso 1 1 calc R . .
C21 C 0.6774(4) -0.9712(6) 0.1228(4) 0.0184(13) Uani 1 1 d . . .
N7 N 0.8978(11) -0.3212(19) 0.1274(14) 0.060(6) Uani 0.56(4) 1 d PD A 1
O10 O 0.8078(13) -0.2776(17) 0.0011(12) 0.053(7) Uani 0.56(4) 1 d PD A 1
C22 C 0.8251(14) -0.2615(17) 0.0725(13) 0.048(8) Uani 0.56(4) 1 d PD A 1
C23 C 0.9539(14) -0.405(3) 0.097(2) 0.092(11) Uani 0.56(4) 1 d PD A 1
C24 C 0.9195(16) -0.285(3) 0.2123(14) 0.087(9) Uani 0.56(4) 1 d PD A 1
N7A N 0.8666(15) -0.283(2) 0.0792(17) 0.048(9) Uani 0.44(4) 1 d PD A 2
O10A O 0.7596(18) -0.3074(19) -0.0380(13) 0.053(7) Uani 0.44(4) 1 d PD A 2
C22A C 0.7833(17) -0.259(2) 0.0288(17) 0.062(9) Uani 0.44(4) 1 d PD A 2
C23A C 0.9216(18) -0.372(3) 0.050(2) 0.076(10) Uani 0.44(4) 1 d PD A 2
C24A C 0.888(2) -0.248(4) 0.1639(19) 0.095(17) Uani 0.44(4) 1 d PD A 2
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
O3 Zn1 O3 180.000(1) 4_546 2_644
O3 Zn1 O9 90.61(18) 4_546 3_635
O3 Zn1 O9 89.39(18) 2_644 3_635
O3 Zn1 O9 89.39(18) 4_546 .
O3 Zn1 O9 90.61(18) 2_644 .
O9 Zn1 O9 180.000(1) 3_635 .
O3 Zn1 O8 91.6(2) 4_546 .
O3 Zn1 O8 88.4(2) 2_644 .
O9 Zn1 O8 97.02(18) 3_635 .
O9 Zn1 O8 82.98(18) . .
O3 Zn1 O8 88.4(2) 4_546 3_635
O3 Zn1 O8 91.6(2) 2_644 3_635
O9 Zn1 O8 82.98(18) 3_635 3_635
O9 Zn1 O8 97.02(18) . 3_635
O8 Zn1 O8 180.000(1) . 3_635
O3 Zn1 Zn3 73.91(14) 4_546 3_635
O3 Zn1 Zn3 106.09(14) 2_644 3_635
O9 Zn1 Zn3 41.95(12) 3_635 3_635
O9 Zn1 Zn3 138.05(12) . 3_635
O8 Zn1 Zn3 134.33(13) . 3_635
O8 Zn1 Zn3 45.67(13) 3_635 3_635
O3 Zn1 Zn3 106.09(14) 4_546 .
O3 Zn1 Zn3 73.91(14) 2_644 .
O9 Zn1 Zn3 138.05(12) 3_635 .
O9 Zn1 Zn3 41.95(12) . .
O8 Zn1 Zn3 45.67(13) . .
O8 Zn1 Zn3 134.33(13) 3_635 .
Zn3 Zn1 Zn3 180.0 3_635 .
O9 Zn2 O1 122.5(2) 3_645 4_546
O9 Zn2 O6 120.76(19) 3_645 .
O1 Zn2 O6 107.7(2) 4_546 .
O9 Zn2 O7 105.32(19) 3_645 1_565
O1 Zn2 O7 100.2(2) 4_546 1_565
O6 Zn2 O7 93.6(2) . 1_565
O9 Zn2 O2 90.2(3) 3_645 4_546
O1 Zn2 O2 57.3(3) 4_546 4_546
O6 Zn2 O2 92.2(3) . 4_546
O7 Zn2 O2 157.4(2) 1_565 4_546
O9 Zn2 C10 108.3(3) 3_645 4_546
O1 Zn2 C10 28.7(3) 4_546 4_546
O6 Zn2 C10 100.8(3) . 4_546
O7 Zn2 C10 128.9(3) 1_565 4_546
O2 Zn2 C10 28.6(3) 4_546 4_546
O5 Zn3 O4 120.1(3) . 2_644
O5 Zn3 O9 119.5(2) . .
O4 Zn3 O9 102.6(2) 2_644 .
O5 Zn3 O11 70.6(8) . .
O4 Zn3 O11 165.8(8) 2_644 .
O9 Zn3 O11 77.4(8) . .
O5 Zn3 O8 127.5(2) . .
O4 Zn3 O8 94.4(2) 2_644 .
O9 Zn3 O8 85.14(18) . .
O11 Zn3 O8 71.4(8) . .
O5 Zn3 Zn1 154.24(19) . .
O4 Zn3 Zn1 85.53(17) 2_644 .
O9 Zn3 Zn1 44.57(13) . .
O11 Zn3 Zn1 84.8(8) . .
O8 Zn3 Zn1 45.40(13) . .
C3 N1 C1 113.0(6) . .
C1 N2 C2 113.6(6) . .
C2 N3 C3 113.0(6) . .
C2 N4 C4 127.4(7) . .
C2 N4 H4A 116.3 . .
C4 N4 H4A 116.3 . .
C1 N5 C11 129.6(7) . .
C1 N5 H5A 115.2 . .
C11 N5 H5A 115.2 . .
C3 N6 C20 117.5(5) . .
C3 N6 C18 117.4(5) . .
C20 N6 C18 119.3(5) . .
C10 O1 Zn2 102.8(6) . 4_645
C10 O2 Zn2 79.5(6) . 4_645
C17 O3 Zn1 132.1(5) . 2_654
C17 O4 Zn3 122.7(5) . 2_654
C19 O5 Zn3 129.0(5) . .
C19 O6 Zn2 125.7(5) . .
C21 O7 Zn2 129.7(4) . 1_545
C21 O8 Zn1 137.1(4) . .
C21 O8 Zn3 132.8(4) . .
Zn1 O8 Zn3 88.93(18) . .
Zn2 O9 Zn3 120.2(2) 3_645 .
Zn2 O9 Zn1 113.7(2) 3_645 .
Zn3 O9 Zn1 93.48(19) . .
N2 C1 N1 126.3(7) . .
N2 C1 N5 120.2(6) . .
N1 C1 N5 113.4(6) . .
N3 C2 N2 126.4(7) . .
N3 C2 N4 115.7(7) . .
N2 C2 N4 117.8(6) . .
N1 C3 N3 127.1(6) . .
N1 C3 N6 115.8(5) . .
N3 C3 N6 117.0(6) . .
C9 C4 C5 119.7(7) . .
C9 C4 N4 121.3(8) . .
C5 C4 N4 118.9(8) . .
C6 C5 C4 119.7(9) . .
C6 C5 H5B 120.1 . .
C4 C5 H5B 120.1 . .
C5 C6 C7 121.3(8) . .
C5 C6 H6A 119.4 . .
C7 C6 H6A 119.4 . .
C8 C7 C6 118.0(7) . .
C8 C7 C10 122.1(9) . .
C6 C7 C10 119.9(8) . .
C7 C8 C9 121.3(8) . .
C7 C8 H8A 119.4 . .
C9 C8 H8A 119.4 . .
C4 C9 C8 119.9(8) . .
C4 C9 H9B 120.0 . .
C8 C9 H9B 120.0 . .
O2 C10 O1 120.3(8) . .
O2 C10 C7 119.5(9) . .
O1 C10 C7 120.2(9) . .
O2 C10 Zn2 71.9(5) . 4_645
O1 C10 Zn2 48.4(4) . 4_645
C7 C10 Zn2 168.6(8) . 4_645
C12 C11 C16 119.4(7) . .
C12 C11 N5 124.8(7) . .
C16 C11 N5 115.8(7) . .
C11 C12 C13 119.8(9) . .
C11 C12 H12A 120.1 . .
C13 C12 H12A 120.1 . .
C14 C13 C12 120.7(8) . .
C14 C13 H13A 119.7 . .
C12 C13 H13A 119.7 . .
C15 C14 C13 118.9(7) . .
C15 C14 C17 121.0(7) . .
C13 C14 C17 120.1(7) . .
C14 C15 C16 120.7(8) . .
C14 C15 H15A 119.7 . .
C16 C15 H15A 119.7 . .
C11 C16 C15 120.4(7) . .
C11 C16 H16A 119.8 . .
C15 C16 H16A 119.8 . .
O4 C17 O3 125.4(7) . .
O4 C17 C14 116.6(7) . .
O3 C17 C14 118.0(7) . .
N6 C18 C19 115.5(5) . .
N6 C18 H18A 108.4 . .
C19 C18 H18A 108.4 . .
N6 C18 H18B 108.4 . .
C19 C18 H18B 108.4 . .
H18A C18 H18B 107.5 . .
O5 C19 O6 123.8(7) . .
O5 C19 C18 122.5(6) . .
O6 C19 C18 113.6(6) . .
N6 C20 C21 114.1(5) . .
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 . .
O8 C21 O7 125.4(6) . .
O8 C21 C20 118.0(6) . .
O7 C21 C20 116.6(6) . .
C22 N7 C23 120.4(11) . .
C22 N7 C24 119.2(11) . .
C23 N7 C24 120.0(12) . .
O10 C22 N7 122.5(13) . .
C22A N7A C24A 119.2(12) . .
C22A N7A C23A 119.6(12) . .
C24A N7A C23A 119.5(13) . .
O10A C22A N7A 120.8(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 2.070(4) 4_546
Zn1 O3 2.070(4) 2_644
Zn1 O9 2.092(5) 3_635
Zn1 O9 2.092(5) .
Zn1 O8 2.119(5) .
Zn1 O8 2.119(5) 3_635
Zn1 Zn3 2.9759(11) 3_635
Zn1 Zn3 2.9759(11) .
Zn2 O9 1.957(5) 3_645
Zn2 O1 1.975(6) 4_546
Zn2 O6 1.990(5) .
Zn2 O7 2.028(5) 1_565
Zn2 O2 2.488(8) 4_546
Zn2 C10 2.574(9) 4_546
Zn3 O5 1.916(5) .
Zn3 O4 1.954(5) 2_644
Zn3 O9 1.993(5) .
Zn3 O11 2.066(10) .
Zn3 O8 2.129(5) .
N1 C3 1.325(9) .
N1 C1 1.353(9) .
N2 C1 1.329(10) .
N2 C2 1.348(10) .
N3 C2 1.334(9) .
N3 C3 1.350(9) .
N4 C2 1.359(10) .
N4 C4 1.418(10) .
N4 H4A 0.8600 .
N5 C1 1.370(10) .
N5 C11 1.426(9) .
N5 H5A 0.8600 .
N6 C3 1.395(9) .
N6 C20 1.451(8) .
N6 C18 1.455(8) .
O1 C10 1.268(12) .
O1 Zn2 1.975(6) 4_645
O2 C10 1.253(14) .
O2 Zn2 2.488(8) 4_645
O3 C17 1.269(9) .
O3 Zn1 2.070(4) 2_654
O4 C17 1.267(10) .
O4 Zn3 1.954(5) 2_654
O5 C19 1.243(8) .
O6 C19 1.261(8) .
O7 C21 1.257(8) .
O7 Zn2 2.028(5) 1_545
O8 C21 1.247(8) .
O9 Zn2 1.957(5) 3_645
C4 C9 1.354(13) .
C4 C5 1.393(13) .
C5 C6 1.366(12) .
C5 H5B 0.9300 .
C6 C7 1.386(13) .
C6 H6A 0.9300 .
C7 C8 1.369(13) .
C7 C10 1.496(11) .
C8 C9 1.390(12) .
C8 H8A 0.9300 .
C9 H9B 0.9300 .
C10 Zn2 2.574(9) 4_645
C11 C12 1.375(12) .
C11 C16 1.381(11) .
C12 C13 1.404(12) .
C12 H12A 0.9300 .
C13 C14 1.381(13) .
C13 H13A 0.9300 .
C14 C15 1.374(11) .
C14 C17 1.508(10) .
C15 C16 1.392(10) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C18 C19 1.530(9) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C20 C21 1.521(9) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
N7 C22 1.440(9) .
N7 C23 1.457(10) .
N7 C24 1.459(10) .
O10 C22 1.200(10) .
N7A C22A 1.447(10) .
N7A C24A 1.453(10) .
N7A C23A 1.457(10) .
O10A C22A 1.207(10) .
