#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:05:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179230 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/50/4315042.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_4315042
loop_
_publ_author_name
'Donald J. Darensbourg'
'Osit Karroonnirun'
_publ_section_title
;
 Ring-Opening Polymerization of Lactides Catalyzed by Natural Amino-Acid
 Based Zinc Catalysts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2360
_journal_page_last               2371
_journal_paper_doi               10.1021/ic902271x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C55 H108 N6 O2 Si4 Zn2'
_chemical_formula_weight         1128.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                90.000(5)
_cell_angle_beta                 99.190(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   13.530(5)
_cell_length_b                   23.298(5)
_cell_length_c                   10.488(5)
_cell_measurement_reflns_used    3311
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      58.89
_cell_measurement_theta_min      4.67
_cell_volume                     3264(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.1202
_diffrn_reflns_av_sigmaI/netI    0.0991
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22528
_diffrn_reflns_theta_full        23.47
_diffrn_reflns_theta_max         23.47
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.848
_exptl_absorpt_correction_T_max  0.8623
_exptl_absorpt_correction_T_min  0.8353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.784
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       0.040(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         4681
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0756
_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)+(0.1651P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1935
_refine_ls_wR_factor_ref         0.2405
_reflns_number_gt                2847
_reflns_number_total             4681
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902271x_si_001_5.cif
_cod_data_source_block           znethylene
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315042
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.5766(5) 0.1761(2) 0.7841(6) 0.0269(15) Uani 1 1 d . . .
C2 C 0.6575(5) 0.1626(3) 0.7142(7) 0.0302(15) Uani 1 1 d . . .
C3 C 0.7207(5) 0.2057(3) 0.6845(7) 0.0338(16) Uani 1 1 d . . .
H3 H 0.7706 0.1961 0.6338 0.041 Uiso 1 1 calc R . .
C4 C 0.7151(5) 0.2633(2) 0.7257(7) 0.0289(15) Uani 1 1 d . . .
C5 C 0.6466(5) 0.2750(3) 0.8055(6) 0.0306(16) Uani 1 1 d . . .
H5 H 0.6456 0.3122 0.8424 0.037 Uiso 1 1 calc R . .
C6 C 0.5777(5) 0.2335(3) 0.8346(6) 0.0294(15) Uani 1 1 d . . .
C7 C 0.6716(5) 0.0994(3) 0.6721(7) 0.0364(17) Uani 1 1 d . . .
C8 C 0.5820(5) 0.0796(3) 0.5746(7) 0.0392(18) Uani 1 1 d . . .
H8A H 0.5784 0.1023 0.4952 0.059 Uiso 1 1 calc R . .
H8B H 0.5204 0.0851 0.6112 0.059 Uiso 1 1 calc R . .
H8C H 0.5897 0.0389 0.5548 0.059 Uiso 1 1 calc R . .
C9 C 0.6827(6) 0.0610(3) 0.7928(8) 0.0434(19) Uani 1 1 d . . .
H9A H 0.6912 0.0210 0.7678 0.065 Uiso 1 1 calc R . .
H9B H 0.6227 0.0644 0.8335 0.065 Uiso 1 1 calc R . .
H9C H 0.7415 0.0732 0.8539 0.065 Uiso 1 1 calc R . .
C10 C 0.7671(5) 0.0926(3) 0.6100(8) 0.0414(18) Uani 1 1 d . . .
H10A H 0.7610 0.1159 0.5314 0.062 Uiso 1 1 calc R . .
H10B H 0.7755 0.0521 0.5881 0.062 Uiso 1 1 calc R . .
H10C H 0.8255 0.1053 0.6711 0.062 Uiso 1 1 calc R . .
C11 C 0.7892(5) 0.3098(3) 0.6909(7) 0.0343(16) Uani 1 1 d . . .
C12 C 0.8356(6) 0.2938(3) 0.5691(7) 0.047(2) Uani 1 1 d . . .
H12A H 0.8744 0.2583 0.5854 0.070 Uiso 1 1 calc R . .
H12B H 0.8796 0.3249 0.5495 0.070 Uiso 1 1 calc R . .
H12C H 0.7819 0.2882 0.4955 0.070 Uiso 1 1 calc R . .
C13 C 0.8739(5) 0.3163(3) 0.8057(8) 0.047(2) Uani 1 1 d . . .
H13A H 0.8459 0.3279 0.8824 0.070 Uiso 1 1 calc R . .
H13B H 0.9212 0.3456 0.7858 0.070 Uiso 1 1 calc R . .
H13C H 0.9088 0.2796 0.8224 0.070 Uiso 1 1 calc R . .
C14 C 0.7330(6) 0.3672(3) 0.6654(10) 0.061(3) Uani 1 1 d . . .
H14A H 0.6759 0.3621 0.5960 0.092 Uiso 1 1 calc R . .
H14B H 0.7783 0.3963 0.6396 0.092 Uiso 1 1 calc R . .
H14C H 0.7089 0.3797 0.7442 0.092 Uiso 1 1 calc R . .
C15 C 0.5142(5) 0.2487(3) 0.9313(7) 0.0346(17) Uani 1 1 d . . .
H15 H 0.5358 0.2796 0.9882 0.042 Uiso 1 1 calc R . .
C16 C 0.3944(6) 0.2299(3) 1.0674(7) 0.0375(17) Uani 1 1 d . . .
H16A H 0.3212 0.2365 1.0519 0.045 Uiso 1 1 calc R . .
H16B H 0.4274 0.2624 1.1181 0.045 Uiso 1 1 calc R . .
C17 C 0.4199(6) 0.1730(3) 1.1383(7) 0.0369(17) Uani 1 1 d . . .
H17A H 0.4934 0.1696 1.1627 0.044 Uiso 1 1 calc R . .
H17B H 0.3900 0.1724 1.2185 0.044 Uiso 1 1 calc R . .
C18 C 0.2789(5) 0.1089(3) 1.0761(8) 0.0454(19) Uani 1 1 d . . .
H18A H 0.2508 0.0791 1.0150 0.068 Uiso 1 1 calc R . .
H18B H 0.2370 0.1434 1.0628 0.068 Uiso 1 1 calc R . .
H18C H 0.2808 0.0950 1.1646 0.068 Uiso 1 1 calc R . .
C19 C 0.4466(6) 0.0729(3) 1.0907(8) 0.0433(19) Uani 1 1 d . . .
H19A H 0.4500 0.0649 1.1831 0.065 Uiso 1 1 calc R . .
H19B H 0.5139 0.0812 1.0724 0.065 Uiso 1 1 calc R . .
H19C H 0.4194 0.0394 1.0406 0.065 Uiso 1 1 calc R . .
C20 C 0.1877(6) 0.2540(3) 0.7733(9) 0.058(2) Uani 1 1 d . . .
H20A H 0.2252 0.2559 0.8612 0.087 Uiso 1 1 calc R . .
H20B H 0.1270 0.2774 0.7677 0.087 Uiso 1 1 calc R . .
H20C H 0.2294 0.2685 0.7122 0.087 Uiso 1 1 calc R . .
C21 C 0.0815(7) 0.1813(5) 0.5661(8) 0.074(3) Uani 1 1 d . . .
H21A H 0.1265 0.1930 0.5063 0.110 Uiso 1 1 calc R . .
H21B H 0.0270 0.2093 0.5627 0.110 Uiso 1 1 calc R . .
H21C H 0.0535 0.1434 0.5412 0.110 Uiso 1 1 calc R . .
C22 C 0.0587(7) 0.1574(3) 0.8397(11) 0.067(3) Uani 1 1 d . . .
H22A H 0.0466 0.1160 0.8335 0.101 Uiso 1 1 calc R . .
H22B H -0.0042 0.1779 0.8119 0.101 Uiso 1 1 calc R . .
H22C H 0.0851 0.1676 0.9294 0.101 Uiso 1 1 calc R . .
C23 C 0.2944(6) 0.0908(3) 0.4919(7) 0.0415(18) Uani 1 1 d . . .
H23A H 0.2391 0.1116 0.4400 0.062 Uiso 1 1 calc R . .
H23B H 0.3074 0.0553 0.4476 0.062 Uiso 1 1 calc R . .
H23C H 0.3546 0.1149 0.5037 0.062 Uiso 1 1 calc R . .
C24 C 0.3549(5) 0.0216(3) 0.7397(7) 0.0416(18) Uani 1 1 d . . .
H24A H 0.4186 0.0416 0.7656 0.062 Uiso 1 1 calc R . .
H24B H 0.3645 -0.0102 0.6816 0.062 Uiso 1 1 calc R . .
H24C H 0.3311 0.0064 0.8166 0.062 Uiso 1 1 calc R . .
C25 C 0.1391(6) 0.0323(4) 0.6276(9) 0.057(2) Uani 1 1 d . . .
H25A H 0.1162 0.0262 0.7106 0.086 Uiso 1 1 calc R . .
H25B H 0.1494 -0.0049 0.5881 0.086 Uiso 1 1 calc R . .
H25C H 0.0886 0.0543 0.5701 0.086 Uiso 1 1 calc R . .
C30 C 1.0000 1.0000 1.0000 0.111(8) Uani 1 2 d SD . .
C31 C 0.9387(14) 0.9898(8) 0.8911(19) 0.073(4) Uani 0.524(13) 1 d PD A 1
H31A H 0.9359 1.0250 0.8377 0.088 Uiso 0.524(13) 1 calc PR A 1
H31B H 0.8709 0.9839 0.9130 0.088 Uiso 0.524(13) 1 calc PR A 1
C32 C 0.961(3) 0.9387(13) 0.806(3) 0.081(8) Uani 0.524(13) 1 d PD A 1
H32A H 1.0247 0.9453 0.7748 0.121 Uiso 0.524(13) 1 calc PR A 1
H32B H 0.9072 0.9353 0.7315 0.121 Uiso 0.524(13) 1 calc PR A 1
H32C H 0.9652 0.9032 0.8564 0.121 Uiso 0.524(13) 1 calc PR A 1
C31A C 1.0043(16) 0.9597(7) 0.902(2) 0.073(4) Uani 0.476(13) 1 d PD A 2
H31C H 1.0041 0.9218 0.9453 0.088 Uiso 0.476(13) 1 calc PR A 2
H31D H 1.0718 0.9640 0.8787 0.088 Uiso 0.476(13) 1 calc PR A 2
C32A C 0.932(3) 0.9531(16) 0.772(3) 0.081(8) Uani 0.476(13) 1 d PD A 2
H32D H 0.8628 0.9533 0.7883 0.121 Uiso 0.476(13) 1 calc PR A 2
H32E H 0.9460 0.9168 0.7313 0.121 Uiso 0.476(13) 1 calc PR A 2
H32F H 0.9423 0.9851 0.7151 0.121 Uiso 0.476(13) 1 calc PR A 2
N1 N 0.4325(4) 0.2238(2) 0.9448(6) 0.0320(14) Uani 1 1 d . . .
N2 N 0.3811(4) 0.1229(2) 1.0549(6) 0.0318(13) Uani 1 1 d . . .
N3 N 0.2558(4) 0.1339(2) 0.7450(5) 0.0269(12) Uani 1 1 d . . .
O1 O 0.5079(3) 0.13784(16) 0.8001(5) 0.0308(11) Uani 1 1 d . . .
Si1 Si 0.15232(14) 0.17803(8) 0.7328(2) 0.0342(5) Uani 1 1 d . . .
Si2 Si 0.25980(15) 0.07312(7) 0.6542(2) 0.0356(6) Uani 1 1 d . . .
Zn1 Zn 0.37989(6) 0.15157(3) 0.85365(9) 0.0398(4) Uani 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'
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'
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'
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
_geom_angle_publ_flag
O1 C1 C6 123.2(6) . . ?
O1 C1 C2 121.6(5) . . ?
C6 C1 C2 115.2(5) . . ?
C3 C2 C1 120.0(6) . . ?
C3 C2 C7 120.9(6) . . ?
C1 C2 C7 119.1(6) . . ?
C2 C3 C4 123.6(7) . . ?
C5 C4 C3 116.7(6) . . ?
C5 C4 C11 121.8(6) . . ?
C3 C4 C11 121.3(6) . . ?
C4 C5 C6 122.0(6) . . ?
C5 C6 C1 121.8(6) . . ?
C5 C6 C15 117.5(6) . . ?
C1 C6 C15 120.4(6) . . ?
C8 C7 C9 109.8(6) . . ?
C8 C7 C10 108.3(6) . . ?
C9 C7 C10 108.0(6) . . ?
C8 C7 C2 110.7(5) . . ?
C9 C7 C2 108.5(6) . . ?
C10 C7 C2 111.4(5) . . ?
C13 C11 C14 109.8(6) . . ?
C13 C11 C12 108.7(6) . . ?
C14 C11 C12 108.5(6) . . ?
C13 C11 C4 108.3(6) . . ?
C14 C11 C4 109.0(6) . . ?
C12 C11 C4 112.6(5) . . ?
N1 C15 C6 125.3(6) . . ?
N1 C16 C17 105.0(5) . . ?
N2 C17 C16 111.0(5) . . ?
C31 C30 C31 179.999(10) 3_777 . ?
C31 C30 C31A 48.7(11) 3_777 3_777 ?
C31 C30 C31A 131.3(11) . 3_777 ?
C31 C30 C31A 131.3(11) 3_777 . ?
C31 C30 C31A 48.7(11) . . ?
C31A C30 C31A 180.0(10) 3_777 . ?
C30 C31 C32 119.0(18) . . ?
C30 C31A C32A 128(2) . . ?
C15 N1 C16 119.0(6) . . ?
C15 N1 Zn1 125.1(5) . . ?
C16 N1 Zn1 110.5(4) . . ?
C18 N2 C19 109.1(5) . . ?
C18 N2 C17 109.5(6) . . ?
C19 N2 C17 108.9(5) . . ?
C18 N2 Zn1 110.3(4) . . ?
C19 N2 Zn1 113.2(4) . . ?
C17 N2 Zn1 105.7(4) . . ?
Si2 N3 Si1 123.3(3) . . ?
Si2 N3 Zn1 113.9(3) . . ?
Si1 N3 Zn1 122.7(3) . . ?
C1 O1 Zn1 127.5(4) . . ?
N3 Si1 C21 112.7(3) . . ?
N3 Si1 C20 111.9(3) . . ?
C21 Si1 C20 104.5(5) . . ?
N3 Si1 C22 114.8(3) . . ?
C21 Si1 C22 106.0(5) . . ?
C20 Si1 C22 106.2(4) . . ?
N3 Si2 C25 113.5(3) . . ?
N3 Si2 C24 110.0(3) . . ?
C25 Si2 C24 105.1(4) . . ?
N3 Si2 C23 110.9(3) . . ?
C25 Si2 C23 108.3(4) . . ?
C24 Si2 C23 108.8(3) . . ?
N3 Zn1 O1 122.2(2) . . ?
N3 Zn1 N1 132.3(2) . . ?
O1 Zn1 N1 90.6(2) . . ?
N3 Zn1 N2 112.0(2) . . ?
O1 Zn1 N2 110.9(2) . . ?
N1 Zn1 N2 81.4(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.318(7) . ?
C1 C6 1.437(8) . ?
C1 C2 1.446(9) . ?
C2 C3 1.386(9) . ?
C2 C7 1.558(8) . ?
C3 C4 1.415(9) . ?
C4 C5 1.372(9) . ?
C4 C11 1.559(9) . ?
C5 C6 1.411(9) . ?
C6 C15 1.473(10) . ?
C7 C8 1.527(10) . ?
C7 C9 1.537(10) . ?
C7 C10 1.546(10) . ?
C11 C13 1.531(10) . ?
C11 C14 1.541(10) . ?
C11 C12 1.557(10) . ?
C15 N1 1.276(9) . ?
C16 N1 1.466(9) . ?
C16 C17 1.534(9) . ?
C17 N2 1.501(8) . ?
C18 N2 1.472(9) . ?
C19 N2 1.476(8) . ?
C20 Si1 1.864(8) . ?
C21 Si1 1.857(9) . ?
C22 Si1 1.882(10) . ?
C23 Si2 1.881(7) . ?
C24 Si2 1.880(7) . ?
C25 Si2 1.871(8) . ?
C30 C31 1.322(18) 3_777 ?
C30 C31 1.322(18) . ?
C30 C31A 1.397(19) 3_777 ?
C30 C31A 1.397(19) . ?
C31 C32 1.55(2) . ?
C31A C32A 1.55(2) . ?
N1 Zn1 2.010(5) . ?
N2 Zn1 2.211(6) . ?
N3 Si2 1.713(5) . ?
N3 Si1 1.725(5) . ?
N3 Zn1 1.917(5) . ?
O1 Zn1 1.930(4) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 171.5(6) . . . . ?
C6 C1 C2 C3 -8.9(9) . . . . ?
O1 C1 C2 C7 -7.9(10) . . . . ?
C6 C1 C2 C7 171.6(6) . . . . ?
C1 C2 C3 C4 4.0(11) . . . . ?
C7 C2 C3 C4 -176.6(6) . . . . ?
C2 C3 C4 C5 4.0(10) . . . . ?
C2 C3 C4 C11 179.2(6) . . . . ?
C3 C4 C5 C6 -6.6(10) . . . . ?
C11 C4 C5 C6 178.3(6) . . . . ?
C4 C5 C6 C1 1.2(10) . . . . ?
C4 C5 C6 C15 174.1(6) . . . . ?
O1 C1 C6 C5 -173.9(6) . . . . ?
C2 C1 C6 C5 6.5(9) . . . . ?
O1 C1 C6 C15 13.4(10) . . . . ?
C2 C1 C6 C15 -166.2(6) . . . . ?
C3 C2 C7 C8 -114.9(7) . . . . ?
C1 C2 C7 C8 64.5(8) . . . . ?
C3 C2 C7 C9 124.5(7) . . . . ?
C1 C2 C7 C9 -56.1(8) . . . . ?
C3 C2 C7 C10 5.7(9) . . . . ?
C1 C2 C7 C10 -174.8(6) . . . . ?
C5 C4 C11 C13 77.7(8) . . . . ?
C3 C4 C11 C13 -97.1(8) . . . . ?
C5 C4 C11 C14 -41.6(9) . . . . ?
C3 C4 C11 C14 143.5(7) . . . . ?
C5 C4 C11 C12 -162.1(6) . . . . ?
C3 C4 C11 C12 23.0(9) . . . . ?
C5 C6 C15 N1 160.7(6) . . . . ?
C1 C6 C15 N1 -26.3(10) . . . . ?
N1 C16 C17 N2 -53.2(7) . . . . ?
C31 C30 C31 C32 -180(100) 3_777 . . . ?
C31A C30 C31 C32 -176(2) 3_777 . . . ?
C31A C30 C31 C32 4(2) . . . . ?
C31 C30 C31A C32A -176(3) 3_777 . . . ?
C31 C30 C31A C32A 4(3) . . . . ?
C31A C30 C31A C32A 140(100) 3_777 . . . ?
C6 C15 N1 C16 160.2(6) . . . . ?
C6 C15 N1 Zn1 8.5(9) . . . . ?
C17 C16 N1 C15 -103.0(6) . . . . ?
C17 C16 N1 Zn1 52.5(6) . . . . ?
C16 C17 N2 C18 -90.1(7) . . . . ?
C16 C17 N2 C19 150.6(6) . . . . ?
C16 C17 N2 Zn1 28.7(6) . . . . ?
C6 C1 O1 Zn1 15.9(9) . . . . ?
C2 C1 O1 Zn1 -164.5(5) . . . . ?
Si2 N3 Si1 C21 -33.4(6) . . . . ?
Zn1 N3 Si1 C21 142.3(5) . . . . ?
Si2 N3 Si1 C20 -150.8(4) . . . . ?
Zn1 N3 Si1 C20 24.9(5) . . . . ?
Si2 N3 Si1 C22 88.0(5) . . . . ?
Zn1 N3 Si1 C22 -96.2(5) . . . . ?
Si1 N3 Si2 C25 -37.8(5) . . . . ?
Zn1 N3 Si2 C25 146.2(4) . . . . ?
Si1 N3 Si2 C24 -155.3(4) . . . . ?
Zn1 N3 Si2 C24 28.7(4) . . . . ?
Si1 N3 Si2 C23 84.3(4) . . . . ?
Zn1 N3 Si2 C23 -91.7(4) . . . . ?
Si2 N3 Zn1 O1 36.2(4) . . . . ?
Si1 N3 Zn1 O1 -139.9(3) . . . . ?
Si2 N3 Zn1 N1 162.3(3) . . . . ?
Si1 N3 Zn1 N1 -13.7(5) . . . . ?
Si2 N3 Zn1 N2 -99.1(3) . . . . ?
Si1 N3 Zn1 N2 84.9(4) . . . . ?
C1 O1 Zn1 N3 117.8(5) . . . . ?
C1 O1 Zn1 N1 -25.5(6) . . . . ?
C1 O1 Zn1 N2 -106.5(5) . . . . ?
C15 N1 Zn1 N3 -123.8(5) . . . . ?
C16 N1 Zn1 N3 82.5(5) . . . . ?
C15 N1 Zn1 O1 13.1(6) . . . . ?
C16 N1 Zn1 O1 -140.6(4) . . . . ?
C15 N1 Zn1 N2 124.2(6) . . . . ?
C16 N1 Zn1 N2 -29.5(4) . . . . ?
C18 N2 Zn1 N3 -14.2(5) . . . . ?
C19 N2 Zn1 N3 108.3(4) . . . . ?
C17 N2 Zn1 N3 -132.5(4) . . . . ?
C18 N2 Zn1 O1 -154.6(4) . . . . ?
C19 N2 Zn1 O1 -32.0(5) . . . . ?
C17 N2 Zn1 O1 87.1(4) . . . . ?
C18 N2 Zn1 N1 118.0(5) . . . . ?
C19 N2 Zn1 N1 -119.4(5) . . . . ?
C17 N2 Zn1 N1 -0.3(4) . . . . ?
