#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/83/4068314.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_4068314
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            'C42 H28.5 N0.5 O7.75 Si1.5 Zn2'
_chemical_formula_weight         837.03
_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                 97.6280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.0819(16)
_cell_length_b                   12.0891(7)
_cell_length_c                   28.0555(17)
_cell_measurement_reflns_used    6762
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.43
_cell_measurement_theta_min      2.42
_cell_volume                     9104.0(9)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            41436
_diffrn_reflns_theta_full        28.83
_diffrn_reflns_theta_max         28.83
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.138
_exptl_absorpt_correction_T_max  0.9052
_exptl_absorpt_correction_T_min  0.6415
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3416
_exptl_crystal_size_max          0.424
_exptl_crystal_size_mid          0.318
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.673
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         11025
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1348P)²+18.1677P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2067
_reflns_number_gt                8466
_reflns_number_total             11025
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800678g_si_002.cif
_cod_data_source_block           s96o
_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_original_formula_sum        'C42 H28.50 N0.50 O7.75 Si1.50 Zn2'
_cod_database_code               4068314
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 0.288912(14) 0.21232(3) 0.742054(14) 0.02693(13) Uani 1 1 d . . .
Zn2 Zn 0.278889(15) -0.06317(3) 0.735206(14) 0.02845(13) Uani 1 1 d . . .
Si1 Si 0.38012(6) 0.27562(15) 1.04885(4) 0.0627(4) Uani 1 1 d . . .
Si2 Si 0.0000 -0.09711(12) 0.7500 0.0360(3) Uani 1 2 d S . .
O1 O 0.30824(11) 0.2620(2) 0.80787(9) 0.0399(6) Uani 1 1 d . . .
O2 O 0.26627(10) 0.4144(2) 0.82394(10) 0.0369(6) Uani 1 1 d . . .
O3 O 0.31067(10) 0.6788(2) 1.19849(10) 0.0385(6) Uani 1 1 d . . .
O4 O 0.25234(11) 0.5523(2) 1.20597(10) 0.0389(6) Uani 1 1 d . . .
O5 O 0.21789(9) 0.1775(2) 0.73021(11) 0.0408(6) Uani 1 1 d . . .
O6 O 0.17588(10) 0.3108(2) 0.76280(11) 0.0391(6) Uani 1 1 d . . .
O7 O 0.31709(10) 0.06986(18) 0.73464(10) 0.0331(5) Uani 1 1 d . . .
C1 C 0.35949(17) 0.3093(4) 0.98414(14) 0.0471(10) Uani 1 1 d . . .
C2 C 0.38214(18) 0.2586(5) 0.94773(16) 0.0566(12) Uani 1 1 d . . .
H2 H 0.4109 0.2169 0.9558 0.068 Uiso 1 1 calc R . .
C3 C 0.36222(17) 0.2700(4) 0.89967(15) 0.0479(10) Uani 1 1 d . . .
H3 H 0.3779 0.2366 0.8759 0.057 Uiso 1 1 calc R . .
C4 C 0.31926(14) 0.3307(3) 0.88711(13) 0.0343(7) Uani 1 1 d . . .
C5 C 0.29684(16) 0.3826(3) 0.92238(15) 0.0419(9) Uani 1 1 d . . .
H5 H 0.2686 0.4257 0.9139 0.050 Uiso 1 1 calc R . .
C6 C 0.31626(17) 0.3710(4) 0.97025(15) 0.0458(10) Uani 1 1 d . . .
H6 H 0.3002 0.4048 0.9937 0.055 Uiso 1 1 calc R . .
C7 C 0.29599(13) 0.3368(3) 0.83575(12) 0.0319(7) Uani 1 1 d . . .
C8 C 0.3563(3) 0.1328(5) 1.05979(18) 0.079(2) Uani 1 1 d . . .
C9 C 0.3316(4) 0.0678(5) 1.0231(2) 0.094(3) Uani 1 1 d . . .
H9 H 0.3301 0.0939 0.9918 0.113 Uiso 1 1 calc R . .
C10 C 0.3090(4) -0.0337(6) 1.0300(3) 0.108(3) Uani 1 1 d . . .
H10 H 0.2941 -0.0722 1.0031 0.130 Uiso 1 1 calc R . .
C11 C 0.3078(4) -0.0786(7) 1.0745(3) 0.104(3) Uani 1 1 d . . .
C12 C 0.3338(3) -0.0182(7) 1.1124(3) 0.106(3) Uani 1 1 d . . .
H12 H 0.3371 -0.0485 1.1432 0.127 Uiso 1 1 calc R . .
C13 C 0.3554(3) 0.0870(7) 1.1062(2) 0.104(3) Uani 1 1 d . . .
H13 H 0.3693 0.1266 1.1331 0.125 Uiso 1 1 calc R . .
C14 C 0.2825(5) -0.1891(8) 1.0833(4) 0.071(3) Uani 0.50 1 d P . .
H14A H 0.2648 -0.1822 1.1106 0.107 Uiso 0.50 1 calc PR . .
H14B H 0.3073 -0.2459 1.0894 0.107 Uiso 0.50 1 calc PR . .
H14C H 0.2596 -0.2084 1.0554 0.107 Uiso 0.50 1 calc PR . .
C15 C 0.35083(17) 0.3746(4) 1.08884(15) 0.0515(12) Uani 1 1 d . . .
C16 C 0.30584(17) 0.3500(4) 1.10492(17) 0.0555(12) Uani 1 1 d . . .
H16 H 0.2890 0.2857 1.0943 0.067 Uiso 1 1 calc R . .
C17 C 0.28536(16) 0.4196(4) 1.13663(16) 0.0453(10) Uani 1 1 d . . .
H17 H 0.2554 0.4013 1.1475 0.054 Uiso 1 1 calc R . .
C18 C 0.30987(14) 0.5161(3) 1.15182(12) 0.0346(8) Uani 1 1 d . . .
C19 C 0.35433(15) 0.5441(4) 1.13587(15) 0.0417(9) Uani 1 1 d . . .
H19 H 0.3705 0.6095 1.1460 0.050 Uiso 1 1 calc R . .
C20 C 0.37451(17) 0.4732(4) 1.10450(16) 0.0501(11) Uani 1 1 d . . .
H20 H 0.4044 0.4919 1.0937 0.060 Uiso 1 1 calc R . .
C21 C 0.28949(14) 0.5882(3) 1.18831(13) 0.0316(7) Uani 1 1 d . . .
C22 C 0.4499(2) 0.2947(7) 1.0625(2) 0.090(3) Uani 1 1 d . . .
C23 C 0.4751(3) 0.2693(9) 1.1064(3) 0.114(3) Uani 1 1 d . . .
H23 H 0.4580 0.2344 1.1288 0.137 Uiso 1 1 calc R . .
C24 C 0.5250(4) 0.2931(10) 1.1190(4) 0.137(4) Uani 1 1 d . . .
H24 H 0.5406 0.2721 1.1492 0.164 Uiso 1 1 calc R . .
C25 C 0.5523(3) 0.3476(10) 1.0878(4) 0.131(4) Uani 1 1 d . . .
C26 C 0.5275(3) 0.3769(11) 1.0444(4) 0.135(4) Uani 1 1 d . . .
H26 H 0.5445 0.4134 1.0223 0.162 Uiso 1 1 calc R . .
C27 C 0.4770(3) 0.3529(12) 1.0325(3) 0.140(4) Uani 1 1 d . . .
H27 H 0.4608 0.3772 1.0030 0.168 Uiso 1 1 calc R . .
C28 C 0.6071(4) 0.3812(14) 1.0999(5) 0.096(5) Uani 0.50 1 d P . .
H28A H 0.6131 0.4075 1.1324 0.144 Uiso 0.50 1 calc PR . .
H28B H 0.6146 0.4388 1.0784 0.144 Uiso 0.50 1 calc PR . .
H28C H 0.6279 0.3183 1.0963 0.144 Uiso 0.50 1 calc PR . .
C29 C 0.05539(13) -0.0041(3) 0.74826(15) 0.0359(8) Uani 1 1 d . . .
C30 C 0.09527(14) -0.0321(3) 0.72421(19) 0.0500(11) Uani 1 1 d . . .
H30 H 0.0947 -0.0992 0.7079 0.060 Uiso 1 1 calc R . .
C31 C 0.13582(14) 0.0375(4) 0.72389(19) 0.0485(11) Uani 1 1 d . . .
H31 H 0.1623 0.0165 0.7079 0.058 Uiso 1 1 calc R . .
C32 C 0.13696(12) 0.1389(3) 0.74740(13) 0.0312(7) Uani 1 1 d . . .
C33 C 0.09842(14) 0.1661(3) 0.77269(15) 0.0383(8) Uani 1 1 d . . .
H33 H 0.0994 0.2323 0.7896 0.046 Uiso 1 1 calc R . .
C34 C 0.05809(15) 0.0952(3) 0.77306(16) 0.0417(9) Uani 1 1 d . . .
H34 H 0.0324 0.1148 0.7903 0.050 Uiso 1 1 calc R . .
C35 C 0.18036(13) 0.2150(3) 0.74668(13) 0.0320(7) Uani 1 1 d . . .
C36 C 0.01092(16) -0.1805(4) 0.80653(18) 0.0478(10) Uani 1 1 d . . .
C37 C 0.00096(16) -0.1362(4) 0.85025(19) 0.0538(11) Uani 1 1 d . . .
H37 H -0.0148 -0.0678 0.8504 0.065 Uiso 1 1 calc R . .
C38 C 0.0138(2) -0.1912(6) 0.8935(2) 0.0778(18) Uani 1 1 d . . .
H38 H 0.0062 -0.1598 0.9219 0.093 Uiso 1 1 calc R . .
C39 C 0.0377(4) -0.2911(9) 0.8949(3) 0.141(5) Uani 1 1 d . . .
C40 C 0.0512(5) -0.3293(9) 0.8535(4) 0.161(5) Uani 1 1 d . . .
H40 H 0.0698 -0.3941 0.8541 0.193 Uiso 1 1 calc R . .
C41 C 0.0384(3) -0.2749(6) 0.8097(3) 0.108(3) Uani 1 1 d . . .
H41 H 0.0488 -0.3040 0.7820 0.130 Uiso 1 1 calc R . .
C42 C 0.0568(7) -0.3436(16) 0.9438(5) 0.130(8) Uani 0.50 1 d P . .
H42A H 0.0663 -0.2863 0.9669 0.195 Uiso 0.50 1 calc PR . .
H42B H 0.0852 -0.3893 0.9406 0.195 Uiso 0.50 1 calc PR . .
H42C H 0.0310 -0.3879 0.9544 0.195 Uiso 0.50 1 calc PR . .
O8 O 0.4180(6) 1.0319(14) 0.7579(5) 0.071(4) Uiso 0.25 1 d PD A 1
N1 N 0.4205(5) 1.0157(12) 0.8545(5) 0.043(3) Uiso 0.25 1 d PD A 1
C43 C 0.4103(8) 1.043(2) 0.7987(8) 0.060(6) Uiso 0.25 1 d PD A 1
C44 C 0.3698(12) 0.965(3) 0.8600(11) 0.102(12) Uiso 0.25 1 d PD A 1
C45 C 0.4406(9) 0.993(2) 0.9186(8) 0.077(6) Uiso 0.25 1 d PD A 1
O9 O 0.4116(6) 1.0850(13) 0.7921(5) 0.056(4) Uiso 0.25 1 d PD B 2
N2 N 0.4077(6) 1.0022(14) 0.8758(6) 0.053(4) Uiso 0.25 1 d PD B 2
C46 C 0.4303(8) 1.0596(18) 0.8335(8) 0.063(5) Uiso 0.25 1 d PD B 2
C47 C 0.3528(10) 0.985(3) 0.8597(9) 0.075(8) Uiso 0.25 1 d PD B 2
C48 C 0.4036(12) 0.929(2) 0.9328(10) 0.089(8) Uiso 0.25 1 d PD B 2
O10 O 0.4835(10) 0.914(2) 0.7611(11) 0.126(9) Uiso 0.25 1 d P . 3
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'
Si Si 0.0817 0.0704 '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
O7 Zn1 O3 112.63(11) . 6_565
O7 Zn1 O1 108.73(12) . .
O3 Zn1 O1 108.81(12) 6_565 .
O7 Zn1 O5 100.73(11) . .
O3 Zn1 O5 114.41(12) 6_565 .
O1 Zn1 O5 111.26(12) . .
O7 Zn2 O2 112.93(12) . 4_546
O7 Zn2 O6 108.56(11) . 4_546
O2 Zn2 O6 103.69(12) 4_546 4_546
O7 Zn2 O4 104.20(11) . 7_557
O2 Zn2 O4 115.83(12) 4_546 7_557
O6 Zn2 O4 111.62(12) 4_546 7_557
C1 Si1 C8 107.0(2) . .
C1 Si1 C15 110.1(2) . .
C8 Si1 C15 107.7(2) . .
C1 Si1 C22 109.3(3) . .
C8 Si1 C22 115.7(3) . .
C15 Si1 C22 106.9(2) . .
C36 Si2 C36 114.8(3) 2_556 .
C36 Si2 C29 109.71(18) 2_556 .
C36 Si2 C29 107.91(18) . .
C36 Si2 C29 107.91(18) 2_556 2_556
C36 Si2 C29 109.71(18) . 2_556
C29 Si2 C29 106.5(2) . 2_556
C7 O1 Zn1 138.2(3) . .
C7 O2 Zn2 129.8(2) . 4_556
C21 O3 Zn1 124.7(2) . 6_566
C21 O4 Zn2 140.2(3) . 7_557
C35 O5 Zn1 133.4(2) . .
C35 O6 Zn2 129.8(2) . 4_556
Zn1 O7 Zn2 122.26(13) . .
C6 C1 C2 117.5(4) . .
C6 C1 Si1 121.1(3) . .
C2 C1 Si1 120.6(3) . .
C3 C2 C1 120.9(4) . .
C3 C2 H2 119.6 . .
C1 C2 H2 119.6 . .
C4 C3 C2 120.3(4) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C5 C4 C3 119.7(4) . .
C5 C4 C7 119.9(3) . .
C3 C4 C7 120.3(3) . .
C4 C5 C6 120.2(4) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C1 121.4(4) . .
C5 C6 H6 119.3 . .
C1 C6 H6 119.3 . .
O2 C7 O1 125.6(3) . .
O2 C7 C4 117.8(3) . .
O1 C7 C4 116.6(3) . .
C9 C8 C13 113.2(7) . .
C9 C8 Si1 122.6(4) . .
C13 C8 Si1 123.7(6) . .
C8 C9 C10 124.8(6) . .
C8 C9 H9 117.6 . .
C10 C9 H9 117.6 . .
C11 C10 C9 122.7(9) . .
C11 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
C10 C11 C12 114.6(9) . .
C10 C11 C14 124.0(10) . .
C12 C11 C14 121.4(8) . .
C11 C12 C13 123.2(6) . .
C11 C12 H12 118.4 . .
C13 C12 H12 118.4 . .
C8 C13 C12 121.3(8) . .
C8 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C20 117.8(4) . .
C16 C15 Si1 121.0(4) . .
C20 C15 Si1 121.1(3) . .
C15 C16 C17 121.3(5) . .
C15 C16 H16 119.3 . .
C17 C16 H16 119.3 . .
C18 C17 C16 119.5(4) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C17 C18 C19 120.8(4) . .
C17 C18 C21 119.6(3) . .
C19 C18 C21 119.5(4) . .
C18 C19 C20 119.1(4) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
C19 C20 C15 121.5(4) . .
C19 C20 H20 119.3 . .
C15 C20 H20 119.3 . .
O3 C21 O4 125.4(3) . .
O3 C21 C18 117.6(3) . .
O4 C21 C18 117.0(3) . .
C23 C22 C27 115.1(8) . .
C23 C22 Si1 121.4(7) . .
C27 C22 Si1 122.4(5) . .
C22 C23 C24 122.7(10) . .
C22 C23 H23 118.7 . .
C24 C23 H23 118.7 . .
C23 C24 C25 121.5(9) . .
C23 C24 H24 119.2 . .
C25 C24 H24 119.2 . .
C26 C25 C24 116.7(9) . .
C26 C25 C28 118.5(13) . .
C24 C25 C28 124.7(11) . .
C25 C26 C27 120.9(11) . .
C25 C26 H26 119.5 . .
C27 C26 H26 119.5 . .
C22 C27 C26 122.8(9) . .
C22 C27 H27 118.6 . .
C26 C27 H27 118.6 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C34 C29 C30 117.6(3) . .
C34 C29 Si2 119.6(3) . .
C30 C29 Si2 122.7(3) . .
C31 C30 C29 121.5(4) . .
C31 C30 H30 119.2 . .
C29 C30 H30 119.2 . .
C30 C31 C32 120.0(4) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C33 C32 C31 118.9(3) . .
C33 C32 C35 120.8(3) . .
C31 C32 C35 120.2(3) . .
C32 C33 C34 120.5(3) . .
C32 C33 H33 119.8 . .
C34 C33 H33 119.8 . .
C29 C34 C33 121.3(4) . .
C29 C34 H34 119.3 . .
C33 C34 H34 119.3 . .
O5 C35 O6 125.9(3) . .
O5 C35 C32 117.4(3) . .
O6 C35 C32 116.7(3) . .
C41 C36 C37 115.7(5) . .
C41 C36 Si2 122.1(4) . .
C37 C36 Si2 120.8(3) . .
C38 C37 C36 122.0(5) . .
C38 C37 H37 119.0 . .
C36 C37 H37 119.0 . .
C39 C38 C37 120.6(7) . .
C39 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
C40 C39 C38 117.5(7) . .
C40 C39 C42 122.1(8) . .
C38 C39 C42 119.3(10) . .
C39 C40 C41 122.3(7) . .
C39 C40 H40 118.9 . .
C41 C40 H40 118.9 . .
C36 C41 C40 121.5(7) . .
C36 C41 H41 119.3 . .
C40 C41 H41 119.3 . .
C39 C42 H42A 109.5 . .
C39 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C39 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 N1 C43 98.1(15) . .
C44 N1 C45 89.7(16) . .
C43 N1 C45 172.2(15) . .
O8 C43 N1 153(2) . .
C47 N2 C46 107.7(14) . .
C47 N2 C48 91.3(15) . .
C46 N2 C48 160.6(15) . .
O9 C46 N2 131.7(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 1.906(2) .
Zn1 O3 1.940(3) 6_565
Zn1 O1 1.946(3) .
Zn1 O5 1.954(3) .
Zn2 O7 1.913(2) .
Zn2 O2 1.945(3) 4_546
Zn2 O6 1.951(3) 4_546
Zn2 O4 1.956(3) 7_557
Si1 C1 1.872(4) .
Si1 C8 1.883(8) .
Si1 C15 1.885(4) .
Si1 C22 1.893(7) .
Si2 C36 1.869(5) 2_556
Si2 C36 1.869(5) .
Si2 C29 1.881(4) .
Si2 C29 1.881(4) 2_556
O1 C7 1.269(4) .
O2 C7 1.251(4) .
O2 Zn2 1.945(3) 4_556
O3 C21 1.251(4) .
O3 Zn1 1.940(3) 6_566
O4 C21 1.256(4) .
O4 Zn2 1.956(3) 7_557
O5 C35 1.255(4) .
O6 C35 1.256(4) .
O6 Zn2 1.951(3) 4_556
C1 C6 1.399(6) .
C1 C2 1.400(6) .
C2 C3 1.391(6) .
C2 H2 0.9300 .
C3 C4 1.381(6) .
C3 H3 0.9300 .
C4 C5 1.379(5) .
C4 C7 1.496(5) .
C5 C6 1.383(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 C9 1.393(11) .
C8 C13 1.419(8) .
C9 C10 1.395(11) .
C9 H9 0.9300 .
C10 C11 1.367(10) .
C10 H10 0.9300 .
C11 C12 1.402(13) .
C11 C14 1.536(14) .
C12 C13 1.420(13) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.387(7) .
C15 C20 1.397(8) .
C16 C17 1.392(6) .
C16 H16 0.9300 .
C17 C18 1.381(6) .
C17 H17 0.9300 .
C18 C19 1.381(6) .
C18 C21 1.504(5) .
C19 C20 1.391(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C22 C23 1.363(9) .
C22 C27 1.379(13) .
C23 C24 1.380(12) .
C23 H23 0.9300 .
C24 C25 1.385(15) .
C24 H24 0.9300 .
C25 C26 1.356(14) .
C25 C28 1.533(14) .
C26 C27 1.396(11) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C34 1.384(5) .
C29 C30 1.389(6) .
C30 C31 1.385(6) .
C30 H30 0.9300 .
C31 C32 1.390(5) .
C31 H31 0.9300 .
C32 C33 1.377(5) .
C32 C35 1.494(5) .
C33 C34 1.390(5) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C36 C41 1.359(7) .
C36 C37 1.397(7) .
C37 C38 1.388(8) .
C37 H37 0.9300 .
C38 C39 1.368(10) .
C38 H38 0.9300 .
C39 C40 1.344(12) .
C39 C42 1.539(12) .
C40 C41 1.397(10) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
O8 C43 1.20(2) .
N1 C44 1.53(3) .
N1 C43 1.59(2) .
N1 C45 1.83(3) .
O9 C46 1.24(2) .
N2 C47 1.51(3) .
N2 C46 1.57(2) .
N2 C48 1.84(3) .
O10 O10 1.15(5) 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
O7 Zn1 O1 C7 -166.4(4) .
O3 Zn1 O1 C7 70.6(4) 6_565
O5 Zn1 O1 C7 -56.4(4) .
O7 Zn1 O5 C35 146.2(4) .
O3 Zn1 O5 C35 -92.8(4) 6_565
O1 Zn1 O5 C35 31.1(4) .
O3 Zn1 O7 Zn2 -137.97(16) 6_565
O1 Zn1 O7 Zn2 101.35(18) .
O5 Zn1 O7 Zn2 -15.6(2) .
O2 Zn2 O7 Zn1 74.81(19) 4_546
O6 Zn2 O7 Zn1 -170.79(15) 4_546
O4 Zn2 O7 Zn1 -51.7(2) 7_557
C8 Si1 C1 C6 96.3(4) .
C15 Si1 C1 C6 -20.5(5) .
C22 Si1 C1 C6 -137.6(5) .
C8 Si1 C1 C2 -73.2(5) .
C15 Si1 C1 C2 170.0(4) .
C22 Si1 C1 C2 52.9(5) .
C6 C1 C2 C3 0.2(8) .
Si1 C1 C2 C3 170.1(4) .
C1 C2 C3 C4 -0.8(8) .
C2 C3 C4 C5 1.8(7) .
C2 C3 C4 C7 -176.0(4) .
C3 C4 C5 C6 -2.2(6) .
C7 C4 C5 C6 175.5(4) .
C4 C5 C6 C1 1.7(7) .
C2 C1 C6 C5 -0.7(8) .
Si1 C1 C6 C5 -170.5(4) .
Zn2 O2 C7 O1 10.9(5) 4_556
Zn2 O2 C7 C4 -168.9(2) 4_556
Zn1 O1 C7 O2 -7.3(6) .
Zn1 O1 C7 C4 172.5(3) .
C5 C4 C7 O2 21.5(5) .
C3 C4 C7 O2 -160.7(4) .
C5 C4 C7 O1 -158.3(4) .
C3 C4 C7 O1 19.5(5) .
C1 Si1 C8 C9 4.4(6) .
C15 Si1 C8 C9 122.8(5) .
C22 Si1 C8 C9 -117.7(6) .
C1 Si1 C8 C13 -166.7(5) .
C15 Si1 C8 C13 -48.3(6) .
C22 Si1 C8 C13 71.2(6) .
C13 C8 C9 C10 -1.4(10) .
Si1 C8 C9 C10 -173.4(6) .
C8 C9 C10 C11 1.7(13) .
C9 C10 C11 C12 -3.9(12) .
C9 C10 C11 C14 179.0(8) .
C10 C11 C12 C13 6.3(11) .
C14 C11 C12 C13 -176.5(8) .
C9 C8 C13 C12 3.7(9) .
Si1 C8 C13 C12 175.5(5) .
C11 C12 C13 C8 -6.5(11) .
C1 Si1 C15 C16 91.6(4) .
C8 Si1 C15 C16 -24.8(5) .
C22 Si1 C15 C16 -149.7(5) .
C1 Si1 C15 C20 -90.5(4) .
C8 Si1 C15 C20 153.1(4) .
C22 Si1 C15 C20 28.1(5) .
C20 C15 C16 C17 -1.6(7) .
Si1 C15 C16 C17 176.3(4) .
C15 C16 C17 C18 1.1(7) .
C16 C17 C18 C19 0.1(7) .
C16 C17 C18 C21 -176.4(4) .
C17 C18 C19 C20 -0.6(6) .
C21 C18 C19 C20 175.9(4) .
C18 C19 C20 C15 0.0(6) .
C16 C15 C20 C19 1.1(7) .
Si1 C15 C20 C19 -176.8(3) .
Zn1 O3 C21 O4 -2.9(5) 6_566
Zn1 O3 C21 C18 176.9(2) 6_566
Zn2 O4 C21 O3 -28.3(7) 7_557
Zn2 O4 C21 C18 151.9(3) 7_557
C17 C18 C21 O3 -174.9(4) .
C19 C18 C21 O3 8.6(5) .
C17 C18 C21 O4 4.9(5) .
C19 C18 C21 O4 -171.6(4) .
C1 Si1 C22 C23 -176.0(6) .
C8 Si1 C22 C23 -55.1(7) .
C15 Si1 C22 C23 64.9(7) .
C1 Si1 C22 C27 16.1(8) .
C8 Si1 C22 C27 136.9(8) .
C15 Si1 C22 C27 -103.1(7) .
C27 C22 C23 C24 -4.2(13) .
Si1 C22 C23 C24 -173.0(7) .
C22 C23 C24 C25 1.8(16) .
C23 C24 C25 C26 0.3(16) .
C23 C24 C25 C28 177.5(10) .
C24 C25 C26 C27 0.2(17) .
C28 C25 C26 C27 -177.1(11) .
C23 C22 C27 C26 4.8(15) .
Si1 C22 C27 C26 173.5(9) .
C25 C26 C27 C22 -3.0(18) .
C36 Si2 C29 C34 151.5(3) 2_556
C36 Si2 C29 C34 -82.8(4) .
C29 Si2 C29 C34 34.9(3) 2_556
C36 Si2 C29 C30 -30.8(4) 2_556
C36 Si2 C29 C30 94.9(4) .
C29 Si2 C29 C30 -147.3(4) 2_556
C34 C29 C30 C31 -1.6(7) .
Si2 C29 C30 C31 -179.4(4) .
C29 C30 C31 C32 -1.0(8) .
C30 C31 C32 C33 3.1(7) .
C30 C31 C32 C35 -179.3(4) .
C31 C32 C33 C34 -2.6(6) .
C35 C32 C33 C34 179.8(4) .
C30 C29 C34 C33 2.1(6) .
Si2 C29 C34 C33 179.9(3) .
C32 C33 C34 C29 0.0(7) .
Zn1 O5 C35 O6 27.3(6) .
Zn1 O5 C35 C32 -152.5(3) .
Zn2 O6 C35 O5 4.4(6) 4_556
Zn2 O6 C35 C32 -175.8(2) 4_556
C33 C32 C35 O5 167.9(4) .
C31 C32 C35 O5 -9.7(5) .
C33 C32 C35 O6 -11.9(5) .
C31 C32 C35 O6 170.5(4) .
C36 Si2 C36 C41 39.1(6) 2_556
C29 Si2 C36 C41 -83.5(6) .
C29 Si2 C36 C41 160.8(6) 2_556
C36 Si2 C36 C37 -155.5(4) 2_556
C29 Si2 C36 C37 81.9(4) .
C29 Si2 C36 C37 -33.8(4) 2_556
C41 C36 C37 C38 -6.4(8) .
Si2 C36 C37 C38 -172.7(4) .
C36 C37 C38 C39 1.0(11) .
C37 C38 C39 C40 4.7(16) .
C37 C38 C39 C42 173.0(12) .
C38 C39 C40 C41 -5(2) .
C42 C39 C40 C41 -172.9(15) .
C37 C36 C41 C40 6.2(13) .
Si2 C36 C41 C40 172.3(9) .
C39 C40 C41 C36 -1(2) .
C44 N1 C43 O8 -116(5) .
C45 N1 C43 O8 66(14) .
C47 N2 C46 O9 -4(3) .
C48 N2 C46 O9 164(4) .
