#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:36:47 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178573 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/83/4068310.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_4068310
loop_
_publ_author_name
'Liu, Zhongqiang'
'Stern, Charlotte L.'
'Lambert, Joseph B.'
_publ_section_title
;
 Metal-Organic Frameworks from Dipodal and Tripodal Silicon-Centered
 Tetrahedral Ligands
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              84
_journal_paper_doi               10.1021/om800678g
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C33 H20 N O12 Zn3'
_chemical_formula_weight         818.61
_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                 129.6730(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.2338(10)
_cell_length_b                   21.7969(14)
_cell_length_c                   12.0852(8)
_cell_measurement_reflns_used    7330
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.71
_cell_measurement_theta_min      2.51
_cell_volume                     3291.5(4)
_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      153(2)
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15109
_diffrn_reflns_theta_full        28.78
_diffrn_reflns_theta_max         28.78
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    2.234
_exptl_absorpt_correction_T_max  0.8498
_exptl_absorpt_correction_T_min  0.4698
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.889
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0544
_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)+(0.0445P)²+34.6009P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1454
_refine_ls_wR_factor_ref         0.1511
_reflns_number_gt                3176
_reflns_number_total             3960
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800678g_si_002.cif
_cod_data_source_block           s25r1m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4068310
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.0000 -0.00256(3) 0.2500 0.01918(17) Uani 1 2 d S . .
Zn2 Zn 0.99537(4) 0.06714(2) -0.00104(5) 0.02014(15) Uani 1 1 d . . .
O1 O 0.9380(2) -0.00231(13) 0.0389(3) 0.0202(6) Uani 1 1 d . . .
O2 O 1.1024(3) 0.11951(14) 0.1563(3) 0.0282(7) Uani 1 1 d . A .
O3 O 1.0876(5) 0.0797(3) 0.3124(7) 0.0270(13) Uani 0.50 1 d P A .
O4 O 0.8845(3) 0.11622(15) -0.1614(3) 0.0321(7) Uani 1 1 d . A .
O5 O 0.9141(5) 0.0853(3) -0.3060(7) 0.0261(13) Uani 0.50 1 d P . .
O3A O 1.1339(5) 0.0473(3) 0.3072(6) 0.0247(12) Uani 0.50 1 d P A 1
O5A O 0.8620(5) 0.0496(3) -0.3187(7) 0.0261(13) Uani 0.50 1 d P . 1
C1 C 1.1420(4) 0.1060(2) 0.2816(5) 0.0349(11) Uani 1 1 d . . .
C2 C 1.2338(3) 0.1435(2) 0.4013(5) 0.0272(9) Uani 1 1 d . A .
C3 C 1.2824(4) 0.1294(3) 0.5435(5) 0.0373(12) Uani 1 1 d . . .
H3 H 1.2561 0.0963 0.5643 0.045 Uiso 1 1 calc R A .
C4 C 1.3688(4) 0.1633(3) 0.6547(5) 0.0377(12) Uani 1 1 d . A .
H4 H 1.4022 0.1527 0.7513 0.045 Uiso 1 1 calc R . .
C5 C 1.4076(3) 0.2128(2) 0.6274(5) 0.0263(9) Uani 1 1 d . . .
C6 C 1.3574(4) 0.2274(2) 0.4850(5) 0.0283(9) Uani 1 1 d . A .
H6 H 1.3820 0.2614 0.4639 0.034 Uiso 1 1 calc R . .
C7 C 1.2712(4) 0.1928(2) 0.3731(5) 0.0267(9) Uani 1 1 d . . .
H7 H 1.2380 0.2031 0.2764 0.032 Uiso 1 1 calc R A .
C8 C 1.5000 0.2505(3) 0.7500 0.0352(16) Uani 1 2 d S . .
C9 C 0.8510(4) 0.1062(2) -0.2854(5) 0.0339(11) Uani 1 1 d . A .
C10 C 0.7604(3) 0.1448(2) -0.4049(5) 0.0257(9) Uani 1 1 d . . .
C11 C 0.7269(5) 0.1412(4) -0.5414(6) 0.076(3) Uani 1 1 d . . .
H11 H 0.7615 0.1136 -0.5609 0.092 Uiso 1 1 calc R . .
C12 C 0.6434(5) 0.1771(4) -0.6513(6) 0.060(2) Uani 1 1 d . . .
H12 H 0.6219 0.1740 -0.7448 0.072 Uiso 1 1 calc R . .
C13 C 0.5915(4) 0.2169(2) -0.6276(5) 0.0328(11) Uani 1 1 d . . .
C14 C 0.6259(5) 0.2204(3) -0.4912(6) 0.064(2) Uani 1 1 d . . .
H14 H 0.5917 0.2482 -0.4715 0.077 Uiso 1 1 calc R . .
C15 C 0.7093(4) 0.1847(3) -0.3806(5) 0.0427(14) Uani 1 1 d . . .
H15 H 0.7309 0.1881 -0.2870 0.051 Uiso 1 1 calc R . .
C16 C 0.5000 0.2555(4) -0.7500 0.048(2) Uani 1 2 d S . .
O6 O 0.7203(6) 0.9963(4) 0.8134(9) 0.050(2) Uani 0.50 1 d P B 2
N8 N 0.554(2) 0.9487(9) 0.630(3) 0.131(8) Uani 0.50 1 d P B 2
C17 C 0.5119(15) 0.9183(14) 0.522(3) 0.124(11) Uani 0.50 1 d P B 2
C18 C 0.6748(12) 0.9838(13) 0.708(2) 0.110(9) Uani 0.50 1 d P B 2
C19 C 0.494(4) 0.9769(14) 0.668(7) 0.26(3) Uani 0.50 1 d P . 2
O7 O 0.575(2) 0.9961(10) 0.569(2) 0.170(10) Uani 0.50 1 d P C 3
H8 H 1.473(5) 0.277(3) 0.783(7) 0.049(18) Uiso 1 1 d . . .
H16 H 0.478(6) 0.280(3) -0.717(8) 0.06(2) Uiso 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'
N N 0.0061 0.0033 '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 O1 179.69(16) 2_755 .
O1 Zn1 O5A 92.58(19) 2_755 6_556
O1 Zn1 O5A 87.57(19) . 6_556
O1 Zn1 O5A 87.57(19) 2_755 5_755
O1 Zn1 O5A 92.58(19) . 5_755
O5A Zn1 O5A 121.3(4) 6_556 5_755
O1 Zn1 O3 82.51(18) 2_755 .
O1 Zn1 O3 97.23(18) . .
O5A Zn1 O3 150.0(3) 6_556 .
O5A Zn1 O3 88.2(3) 5_755 .
O1 Zn1 O3 97.23(18) 2_755 2_755
O1 Zn1 O3 82.51(18) . 2_755
O5A Zn1 O3 88.2(3) 6_556 2_755
O5A Zn1 O3 150.0(3) 5_755 2_755
O3 Zn1 O3 63.3(4) . 2_755
O1 Zn1 O5 95.73(18) 2_755 6_556
O1 Zn1 O5 84.53(18) . 6_556
O5A Zn1 O5 29.9(2) 6_556 6_556
O5A Zn1 O5 91.7(3) 5_755 6_556
O3 Zn1 O5 178.2(2) . 6_556
O3 Zn1 O5 117.1(3) 2_755 6_556
O1 Zn1 O5 84.53(18) 2_755 5_755
O1 Zn1 O5 95.73(18) . 5_755
O5A Zn1 O5 91.7(3) 6_556 5_755
O5A Zn1 O5 29.9(2) 5_755 5_755
O3 Zn1 O5 117.1(3) . 5_755
O3 Zn1 O5 178.2(2) 2_755 5_755
O5 Zn1 O5 62.5(4) 6_556 5_755
O1 Zn1 O3A 89.46(19) 2_755 2_755
O1 Zn1 O3A 90.38(19) . 2_755
O5A Zn1 O3A 60.4(3) 6_556 2_755
O5A Zn1 O3A 176.6(2) 5_755 2_755
O3 Zn1 O3A 89.9(3) . 2_755
O3 Zn1 O3A 29.2(2) 2_755 2_755
O5 Zn1 O3A 90.2(2) 6_556 2_755
O5 Zn1 O3A 151.1(3) 5_755 2_755
O1 Zn1 O3A 90.38(19) 2_755 .
O1 Zn1 O3A 89.46(19) . .
O5A Zn1 O3A 176.6(2) 6_556 .
O5A Zn1 O3A 60.4(3) 5_755 .
O3 Zn1 O3A 29.2(2) . .
O3 Zn1 O3A 89.9(3) 2_755 .
O5 Zn1 O3A 151.1(3) 6_556 .
O5 Zn1 O3A 90.2(2) 5_755 .
O3A Zn1 O3A 118.1(3) 2_755 .
O4 Zn2 O2 109.83(15) . .
O4 Zn2 O1 112.74(14) . .
O2 Zn2 O1 118.54(12) . .
O4 Zn2 O1 117.23(13) . 5_755
O2 Zn2 O1 111.39(13) . 5_755
O1 Zn2 O1 85.57(12) . 5_755
O4 Zn2 Zn2 125.12(11) . 5_755
O2 Zn2 Zn2 125.02(10) . 5_755
O1 Zn2 Zn2 42.92(8) . 5_755
O1 Zn2 Zn2 42.65(8) 5_755 5_755
Zn2 O1 Zn2 94.43(12) . 5_755
Zn2 O1 Zn1 111.59(13) . .
Zn2 O1 Zn1 111.91(13) 5_755 .
C1 O2 Zn2 120.0(3) . .
O3A O3 C1 68.7(5) . .
O3A O3 Zn1 75.8(5) . .
C1 O3 Zn1 134.8(5) . .
C9 O4 Zn2 121.7(3) . .
O5A O5 C9 68.5(5) . .
O5A O5 Zn1 74.3(4) . 5_755
C9 O5 Zn1 133.4(5) . 5_755
O3 O3A C1 63.8(5) . .
O3 O3A Zn1 75.0(5) . .
C1 O3A Zn1 130.3(5) . .
O5 O5A C9 62.7(5) . .
O5 O5A Zn1 75.8(4) . 5_755
C9 O5A Zn1 130.1(5) . 5_755
O2 C1 O3 122.6(5) . .
O2 C1 O3A 117.1(5) . .
O3 C1 O3A 47.5(4) . .
O2 C1 C2 118.0(4) . .
O3 C1 C2 114.0(5) . .
O3A C1 C2 118.9(4) . .
C7 C2 C3 119.1(4) . .
C7 C2 C1 120.8(4) . .
C3 C2 C1 120.1(4) . .
C4 C3 C2 120.2(4) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 121.1(4) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C4 C5 C6 118.4(4) . .
C4 C5 C8 120.4(4) . .
C6 C5 C8 121.2(4) . .
C5 C6 C7 120.6(4) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C2 C7 C6 120.6(4) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C5 C8 C5 114.0(6) 2_856 .
C5 C8 H8 111(4) 2_856 .
C5 C8 H8 108(4) . .
O4 C9 O5 120.4(5) . .
O4 C9 O5A 118.8(5) . .
O5 C9 O5A 48.8(4) . .
O4 C9 C10 117.9(4) . .
O5 C9 C10 115.2(5) . .
O5A C9 C10 117.6(5) . .
C15 C10 C11 118.0(5) . .
C15 C10 C9 120.7(4) . .
C11 C10 C9 121.3(4) . .
C10 C11 C12 121.0(6) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C13 C12 C11 121.1(5) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C14 117.3(5) . .
C12 C13 C16 120.1(5) . .
C14 C13 C16 122.6(5) . .
C13 C14 C15 122.0(5) . .
C13 C14 H14 119.0 . .
C15 C14 H14 119.0 . .
C10 C15 C14 120.4(5) . .
C10 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C13 C16 C13 112.5(6) . 2_653
C13 C16 H16 109(5) . .
C13 C16 H16 111(5) 2_653 .
C17 N8 C19 122(3) . .
C17 N8 C18 120(2) . .
C19 N8 C18 114(2) . .
O6 C18 N8 118(2) . .
N8 C19 C19 134(5) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.060(3) 2_755
Zn1 O1 2.060(3) .
Zn1 O5A 2.095(6) 6_556
Zn1 O5A 2.095(6) 5_755
Zn1 O3 2.105(6) .
Zn1 O3 2.105(6) 2_755
Zn1 O5 2.110(6) 6_556
Zn1 O5 2.110(6) 5_755
Zn1 O3A 2.113(6) 2_755
Zn1 O3A 2.113(6) .
Zn2 O4 1.920(3) .
Zn2 O2 1.928(3) .
Zn2 O1 1.991(3) .
Zn2 O1 2.001(3) 5_755
Zn2 Zn2 2.9299(9) 5_755
O1 Zn2 2.001(3) 5_755
O2 C1 1.246(5) .
O3 O3A 1.063(9) .
O3 C1 1.293(8) .
O4 C9 1.244(5) .
O5 O5A 1.085(9) .
O5 C9 1.283(7) .
O5 Zn1 2.109(6) 5_755
O3A C1 1.343(8) .
O5A C9 1.344(8) .
O5A Zn1 2.095(6) 5_755
C1 C2 1.493(6) .
C2 C7 1.379(6) .
C2 C3 1.394(6) .
C3 C4 1.384(7) .
C3 H3 0.9500 .
C4 C5 1.390(7) .
C4 H4 0.9500 .
C5 C6 1.392(6) .
C5 C8 1.512(6) .
C6 C7 1.393(6) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C5 1.512(6) 2_856
C8 H8 0.95(6) .
C9 C10 1.499(6) .
C10 C15 1.357(6) .
C10 C11 1.370(7) .
C11 C12 1.384(8) .
C11 H11 0.9500 .
C12 C13 1.360(8) .
C12 H12 0.9500 .
C13 C14 1.363(8) .
C13 C16 1.516(6) .
C14 C15 1.383(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C13 1.516(6) 2_653
C16 H16 0.87(6) .
O6 C18 1.022(18) .
N8 C17 1.21(3) .
N8 C19 1.46(3) .
N8 C18 1.72(3) .
C19 C19 1.85(9) 2_656
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_4
O4 Zn2 O1 Zn2 117.72(13) . 5_755
O2 Zn2 O1 Zn2 -111.98(15) . 5_755
O1 Zn2 O1 Zn2 0.0 5_755 5_755
O4 Zn2 O1 Zn1 -126.61(15) . .
O2 Zn2 O1 Zn1 3.7(2) . .
O1 Zn2 O1 Zn1 115.67(18) 5_755 .
Zn2 Zn2 O1 Zn1 115.67(18) 5_755 .
O1 Zn1 O1 Zn2 35.1(6) 2_755 .
O5A Zn1 O1 Zn2 154.6(2) 6_556 .
O5A Zn1 O1 Zn2 -84.1(2) 5_755 .
O3 Zn1 O1 Zn2 4.4(2) . .
O3 Zn1 O1 Zn2 66.1(2) 2_755 .
O5 Zn1 O1 Zn2 -175.5(2) 6_556 .
O5 Zn1 O1 Zn2 -114.0(2) 5_755 .
O3A Zn1 O1 Zn2 94.3(2) 2_755 .
O3A Zn1 O1 Zn2 -23.8(2) . .
O1 Zn1 O1 Zn2 139.5(6) 2_755 5_755
O5A Zn1 O1 Zn2 -101.0(2) 6_556 5_755
O5A Zn1 O1 Zn2 20.3(2) 5_755 5_755
O3 Zn1 O1 Zn2 108.8(2) . 5_755
O3 Zn1 O1 Zn2 170.5(2) 2_755 5_755
O5 Zn1 O1 Zn2 -71.1(2) 6_556 5_755
O5 Zn1 O1 Zn2 -9.6(2) 5_755 5_755
O3A Zn1 O1 Zn2 -161.3(2) 2_755 5_755
O3A Zn1 O1 Zn2 80.6(2) . 5_755
O4 Zn2 O2 C1 138.8(4) . .
O1 Zn2 O2 C1 7.2(4) . .
O1 Zn2 O2 C1 -89.6(4) 5_755 .
Zn2 Zn2 O2 C1 -43.2(4) 5_755 .
O1 Zn1 O3 O3A 104.4(5) 2_755 .
O1 Zn1 O3 O3A -75.7(5) . .
O5A Zn1 O3 O3A -173.4(5) 6_556 .
O5A Zn1 O3 O3A 16.6(5) 5_755 .
O3 Zn1 O3 O3A -153.6(6) 2_755 .
O5 Zn1 O3 O3A 102(8) 6_556 .
O5 Zn1 O3 O3A 24.5(5) 5_755 .
O3A Zn1 O3 O3A -166.1(4) 2_755 .
O1 Zn1 O3 C1 143.3(7) 2_755 .
O1 Zn1 O3 C1 -36.8(7) . .
O5A Zn1 O3 C1 -134.5(6) 6_556 .
O5A Zn1 O3 C1 55.5(7) 5_755 .
O3 Zn1 O3 C1 -114.7(8) 2_755 .
O5 Zn1 O3 C1 141(8) 6_556 .
O5 Zn1 O3 C1 63.4(7) 5_755 .
O3A Zn1 O3 C1 -127.2(7) 2_755 .
O3A Zn1 O3 C1 38.9(6) . .
O2 Zn2 O4 C9 132.3(4) . .
O1 Zn2 O4 C9 -93.1(4) . .
O1 Zn2 O4 C9 3.9(5) 5_755 .
Zn2 Zn2 O4 C9 -45.6(5) 5_755 .
Zn1 O3 O3A C1 151.4(4) . .
C1 O3 O3A Zn1 -151.4(4) . .
O1 Zn1 O3A O3 -73.8(5) 2_755 .
O1 Zn1 O3A O3 105.9(5) . .
O5A Zn1 O3A O3 78(4) 6_556 .
O5A Zn1 O3A O3 -160.8(5) 5_755 .
O3 Zn1 O3A O3 23.4(6) 2_755 .
O5 Zn1 O3A O3 -176.4(5) 6_556 .
O5 Zn1 O3A O3 -158.3(5) 5_755 .
O3A Zn1 O3A O3 15.8(4) 2_755 .
O1 Zn1 O3A C1 -108.0(6) 2_755 .
O1 Zn1 O3A C1 71.7(6) . .
O5A Zn1 O3A C1 44(5) 6_556 .
O5A Zn1 O3A C1 165.0(7) 5_755 .
O3 Zn1 O3A C1 -34.2(5) . .
O3 Zn1 O3A C1 -10.8(6) 2_755 .
O5 Zn1 O3A C1 149.3(5) 6_556 .
O5 Zn1 O3A C1 167.4(6) 5_755 .
O3A Zn1 O3A C1 -18.4(5) 2_755 .
Zn1 O5 O5A C9 151.4(4) 5_755 .
C9 O5 O5A Zn1 -151.4(4) . 5_755
Zn2 O2 C1 O3 -34.7(8) . .
Zn2 O2 C1 O3A 20.3(7) . .
Zn2 O2 C1 C2 172.7(3) . .
O3A O3 C1 O2 98.4(7) . .
Zn1 O3 C1 O2 57.6(10) . .
Zn1 O3 C1 O3A -40.8(6) . .
O3A O3 C1 C2 -108.0(6) . .
Zn1 O3 C1 C2 -148.8(5) . .
O3 O3A C1 O2 -110.6(6) . .
Zn1 O3A C1 O2 -73.4(8) . .
Zn1 O3A C1 O3 37.3(5) . .
O3 O3A C1 C2 97.2(6) . .
Zn1 O3A C1 C2 134.5(5) . .
O2 C1 C2 C7 1.9(8) . .
O3 C1 C2 C7 -153.0(5) . .
O3A C1 C2 C7 153.8(5) . .
O2 C1 C2 C3 -178.5(5) . .
O3 C1 C2 C3 26.6(8) . .
O3A C1 C2 C3 -26.6(8) . .
C7 C2 C3 C4 -1.7(8) . .
C1 C2 C3 C4 178.7(5) . .
C2 C3 C4 C5 1.3(9) . .
C3 C4 C5 C6 -0.1(8) . .
C3 C4 C5 C8 178.2(5) . .
C4 C5 C6 C7 -0.8(7) . .
C8 C5 C6 C7 -179.0(4) . .
C3 C2 C7 C6 0.9(7) . .
C1 C2 C7 C6 -179.5(5) . .
C5 C6 C7 C2 0.4(7) . .
C4 C5 C8 C5 46.3(4) . 2_856
C6 C5 C8 C5 -135.5(5) . 2_856
Zn2 O4 C9 O5 -32.6(8) . .
Zn2 O4 C9 O5A 24.1(7) . .
Zn2 O4 C9 C10 176.9(3) . .
O5A O5 C9 O4 103.2(7) . .
Zn1 O5 C9 O4 63.8(9) 5_755 .
Zn1 O5 C9 O5A -39.4(6) 5_755 .
O5A O5 C9 C10 -105.6(6) . .
Zn1 O5 C9 C10 -144.9(5) 5_755 .
O5 O5A C9 O4 -106.6(7) . .
Zn1 O5A C9 O4 -69.3(8) 5_755 .
Zn1 O5A C9 O5 37.3(5) 5_755 .
O5 O5A C9 C10 100.5(6) . .
Zn1 O5A C9 C10 137.8(5) 5_755 .
O4 C9 C10 C15 -7.1(8) . .
O5 C9 C10 C15 -159.1(6) . .
O5A C9 C10 C15 146.1(6) . .
O4 C9 C10 C11 172.8(6) . .
O5 C9 C10 C11 20.8(9) . .
O5A C9 C10 C11 -34.1(9) . .
C15 C10 C11 C12 0.0(12) . .
C9 C10 C11 C12 -179.8(7) . .
C10 C11 C12 C13 -0.4(13) . .
C11 C12 C13 C14 0.8(11) . .
C11 C12 C13 C16 -179.8(7) . .
C12 C13 C14 C15 -0.8(11) . .
C16 C13 C14 C15 179.8(6) . .
C11 C10 C15 C14 0.0(10) . .
C9 C10 C15 C14 179.8(6) . .
C13 C14 C15 C10 0.4(11) . .
C12 C13 C16 C13 60.1(5) . 2_653
C14 C13 C16 C13 -120.5(6) . 2_653
C17 N8 C18 O6 -160(3) . .
C19 N8 C18 O6 43(4) . .
C17 N8 C19 C19 128(5) . 2_656
C18 N8 C19 C19 -75(4) . 2_656
