#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:19:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178559 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/67/4066715.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_4066715
loop_
_publ_author_name
'Objartel, Ina'
'Pott, Nils A.'
'John, Michael'
'Stalke, Dietmar'
_publ_contact_author             'Prof. Dr. D. Stalke'
_publ_section_title
;
 Coordination Site SelectiveJanus HeadLigands†
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5670
_journal_paper_doi               10.1021/om1005885
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C33.81 H58.81 N4 O0.81 P Si4 Sn2'
_chemical_formula_weight         914.90
_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                111.731(3)
_cell_angle_beta                 97.660(3)
_cell_angle_gamma                106.814(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2530(13)
_cell_length_b                   14.5630(19)
_cell_length_c                   16.547(3)
_cell_measurement_reflns_used    9332
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4515
_cell_measurement_theta_min      2.2215
_cell_volume                     2115.2(5)
_computing_cell_refinement       'SAINT V7.60A'
_computing_data_collection       'Apex2 v2009.3-0'
_computing_data_reduction        'SAINT V7.60A'
_computing_molecular_graphics    'XSHEll vers. 4.01'
_computing_publication_material  'XSHEll vers. 4.01'
_computing_structure_refinement  'SHELXL in SHELXTL Version 2008/4'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/4'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart APEX II with D8-Goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'INCOATEC quazar mirror optics'
_diffrn_radiation_source         'INCOATEC Mo micro source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            46392
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.3881
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS-2008/2
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         9329
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0192
_refine_ls_shift/su_max          0.091
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0161P)²+1.2210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0409
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                8223
_reflns_number_total             9329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1005885_si_002.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2115.2(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4066715
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.147171(12) 0.409584(9) 0.223948(8) 0.01475(3) Uani 1 1 d . . .
Sn2 Sn 0.219407(12) 0.655504(9) 0.208439(8) 0.01548(3) Uani 1 1 d . . .
P1 P 0.40352(5) 0.54540(3) 0.25317(3) 0.01378(9) Uani 1 1 d . . .
N1 N 0.23346(16) 0.54729(12) 0.38709(10) 0.0175(3) Uani 1 1 d . . .
N2 N 0.21888(16) 0.35891(12) 0.08128(10) 0.0172(3) Uani 1 1 d . . .
N3 N 0.15508(15) 0.28077(12) 0.25029(10) 0.0176(3) Uani 1 1 d . . .
N4 N 0.34832(15) 0.78223(11) 0.18410(10) 0.0164(3) Uani 1 1 d . . .
Si1 Si -0.00761(5) 0.19186(4) 0.23916(4) 0.01783(10) Uani 1 1 d . . .
Si2 Si 0.31593(5) 0.27064(4) 0.28494(4) 0.01919(11) Uani 1 1 d . . .
Si3 Si 0.29278(5) 0.76621(4) 0.07497(3) 0.01803(10) Uani 1 1 d . . .
Si4 Si 0.49807(5) 0.88324(4) 0.26197(3) 0.01623(10) Uani 1 1 d . . .
C1 C 0.38230(19) 0.65972(14) 0.33189(12) 0.0162(4) Uani 1 1 d D . .
H100 H 0.4639(15) 0.7277(10) 0.3557(12) 0.019 Uiso 1 1 d D . .
C2 C 0.32186(18) 0.64531(14) 0.40425(12) 0.0162(3) Uani 1 1 d . . .
C3 C 0.3522(2) 0.73030(15) 0.48905(13) 0.0209(4) Uani 1 1 d . . .
H3 H 0.4141 0.7995 0.5014 0.025 Uiso 1 1 calc R . .
C4 C 0.2919(2) 0.71296(16) 0.55415(13) 0.0240(4) Uani 1 1 d . . .
H4 H 0.3112 0.7703 0.6114 0.029 Uiso 1 1 calc R . .
C5 C 0.2026(2) 0.61136(16) 0.53596(13) 0.0245(4) Uani 1 1 d . . .
H5 H 0.1607 0.5976 0.5802 0.029 Uiso 1 1 calc R . .
C6 C 0.17700(19) 0.53162(16) 0.45183(13) 0.0211(4) Uani 1 1 d . . .
H6 H 0.1163 0.4618 0.4387 0.025 Uiso 1 1 calc R . .
C7 C 0.35690(18) 0.54775(14) 0.14628(12) 0.0154(3) Uani 1 1 d D . .
H101 H 0.4290(16) 0.6008(12) 0.1353(13) 0.018 Uiso 1 1 d D . .
C8 C 0.29021(18) 0.44413(14) 0.06805(12) 0.0157(3) Uani 1 1 d . . .
C9 C 0.29624(19) 0.43178(14) -0.01954(12) 0.0192(4) Uani 1 1 d . . .
H9 H 0.3463 0.4914 -0.0288 0.023 Uiso 1 1 calc R . .
C10 C 0.2299(2) 0.33360(15) -0.09201(13) 0.0225(4) Uani 1 1 d . . .
H10 H 0.2325 0.3253 -0.1514 0.027 Uiso 1 1 calc R . .
C11 C 0.1591(2) 0.24661(15) -0.07720(13) 0.0240(4) Uani 1 1 d . . .
H11 H 0.1135 0.1778 -0.1259 0.029 Uiso 1 1 calc R . .
C12 C 0.1567(2) 0.26289(14) 0.00976(13) 0.0210(4) Uani 1 1 d . . .
H12 H 0.1089 0.2035 0.0201 0.025 Uiso 1 1 calc R . .
C13 C 0.58664(18) 0.55599(14) 0.28151(12) 0.0165(4) Uani 1 1 d . . .
C14 C 0.6687(2) 0.60915(16) 0.37089(13) 0.0240(4) Uani 1 1 d . . .
H14 H 0.6309 0.6435 0.4175 0.029 Uiso 1 1 calc R . .
C15 C 0.8058(2) 0.61194(18) 0.39187(15) 0.0322(5) Uani 1 1 d . . .
H15 H 0.8610 0.6471 0.4530 0.039 Uiso 1 1 calc R . .
C16 C 0.8626(2) 0.56350(18) 0.32387(16) 0.0326(5) Uani 1 1 d . . .
H16 H 0.9571 0.5668 0.3385 0.039 Uiso 1 1 calc R . .
C17 C 0.7822(2) 0.51073(17) 0.23525(15) 0.0284(4) Uani 1 1 d . . .
H17 H 0.8210 0.4773 0.1888 0.034 Uiso 1 1 calc R . .
C18 C 0.6443(2) 0.50643(15) 0.21400(13) 0.0210(4) Uani 1 1 d . . .
H18 H 0.5887 0.4694 0.1529 0.025 Uiso 1 1 calc R . .
C19 C -0.15544(19) 0.23496(15) 0.20878(14) 0.0237(4) Uani 1 1 d . . .
H19A H -0.1402 0.3052 0.2557 0.035 Uiso 1 1 calc R . .
H19B H -0.2457 0.1836 0.2042 0.035 Uiso 1 1 calc R . .
H19C H -0.1575 0.2386 0.1507 0.035 Uiso 1 1 calc R . .
C20 C -0.0482(2) 0.05633(16) 0.14841(16) 0.0350(5) Uani 1 1 d . . .
H20A H -0.0487 0.0602 0.0905 0.052 Uiso 1 1 calc R . .
H20B H -0.1412 0.0087 0.1442 0.052 Uiso 1 1 calc R . .
H20C H 0.0241 0.0289 0.1629 0.052 Uiso 1 1 calc R . .
C21 C -0.0200(2) 0.18269(18) 0.34833(15) 0.0299(5) Uani 1 1 d . . .
H21A H 0.0653 0.1747 0.3745 0.045 Uiso 1 1 calc R . .
H21B H -0.1034 0.1210 0.3369 0.045 Uiso 1 1 calc R . .
H21C H -0.0282 0.2475 0.3906 0.045 Uiso 1 1 calc R . .
C22 C 0.2984(2) 0.15278(17) 0.30991(17) 0.0351(5) Uani 1 1 d . . .
H22A H 0.2529 0.1579 0.3590 0.053 Uiso 1 1 calc R . .
H22B H 0.3925 0.1513 0.3280 0.053 Uiso 1 1 calc R . .
H22C H 0.2407 0.0874 0.2557 0.053 Uiso 1 1 calc R . .
C23 C 0.4249(2) 0.38871(16) 0.39242(14) 0.0275(4) Uani 1 1 d . . .
H23A H 0.4365 0.4536 0.3842 0.041 Uiso 1 1 calc R . .
H23B H 0.5181 0.3852 0.4094 0.041 Uiso 1 1 calc R . .
H23C H 0.3776 0.3895 0.4402 0.041 Uiso 1 1 calc R . .
C24 C 0.4115(2) 0.25548(17) 0.19546(15) 0.0293(5) Uani 1 1 d . . .
H24A H 0.3600 0.1862 0.1438 0.044 Uiso 1 1 calc R . .
H24B H 0.5070 0.2601 0.2196 0.044 Uiso 1 1 calc R . .
H24C H 0.4178 0.3121 0.1760 0.044 Uiso 1 1 calc R . .
C25 C 0.4311(2) 0.75399(17) 0.01260(14) 0.0297(5) Uani 1 1 d . . .
H25A H 0.5128 0.8212 0.0405 0.044 Uiso 1 1 calc R . .
H25B H 0.3919 0.7376 -0.0506 0.044 Uiso 1 1 calc R . .
H25C H 0.4610 0.6968 0.0153 0.044 Uiso 1 1 calc R . .
C26 C 0.1323(2) 0.64116(15) 0.00863(13) 0.0229(4) Uani 1 1 d . . .
H26A H 0.1550 0.5799 0.0077 0.034 Uiso 1 1 calc R . .
H26B H 0.1033 0.6327 -0.0534 0.034 Uiso 1 1 calc R . .
H26C H 0.0549 0.6456 0.0370 0.034 Uiso 1 1 calc R . .
C27 C 0.2394(2) 0.87726(16) 0.07041(14) 0.0283(5) Uani 1 1 d . . .
H27A H 0.1781 0.8917 0.1104 0.042 Uiso 1 1 calc R . .
H27B H 0.1881 0.8569 0.0083 0.042 Uiso 1 1 calc R . .
H27C H 0.3241 0.9413 0.0901 0.042 Uiso 1 1 calc R . .
C28 C 0.6525(2) 0.84018(16) 0.27296(14) 0.0255(4) Uani 1 1 d . . .
H28A H 0.6254 0.7774 0.2853 0.038 Uiso 1 1 calc R . .
H28B H 0.7318 0.8980 0.3228 0.038 Uiso 1 1 calc R . .
H28C H 0.6810 0.8227 0.2166 0.038 Uiso 1 1 calc R . .
C29 C 0.4676(2) 0.94182(15) 0.37593(13) 0.0248(4) Uani 1 1 d . . .
H29A H 0.4123 0.9865 0.3756 0.037 Uiso 1 1 calc R . .
H29B H 0.5588 0.9851 0.4215 0.037 Uiso 1 1 calc R . .
H29C H 0.4156 0.8845 0.3903 0.037 Uiso 1 1 calc R . .
C30 C 0.5621(2) 0.99776(15) 0.23195(14) 0.0262(4) Uani 1 1 d . . .
H30A H 0.5805 0.9724 0.1725 0.039 Uiso 1 1 calc R . .
H30B H 0.6496 1.0515 0.2774 0.039 Uiso 1 1 calc R . .
H30C H 0.4897 1.0292 0.2303 0.039 Uiso 1 1 calc R . .
O1 O 0.1638(2) 0.94846(18) 0.49304(15) 0.0500(7) Uani 0.803(3) 1 d P A 1
C31 C 0.1051(3) 0.8403(2) 0.4337(2) 0.0346(7) Uani 0.803(3) 1 d P A 1
H31A H 0.0556 0.7985 0.4634 0.042 Uiso 0.803(3) 1 calc PR A 1
H31B H 0.1800 0.8143 0.4143 0.042 Uiso 0.803(3) 1 calc PR A 1
C32 C 0.0018(3) 0.8295(2) 0.3532(2) 0.0309(6) Uani 0.803(3) 1 d P A 1
H32A H -0.0112 0.7657 0.2981 0.037 Uiso 0.803(3) 1 calc PR A 1
H32B H -0.0914 0.8260 0.3648 0.037 Uiso 0.803(3) 1 calc PR A 1
C33 C 0.0753(3) 0.9302(3) 0.3454(2) 0.0333(7) Uani 0.803(3) 1 d P A 1
H33A H 0.0064 0.9536 0.3185 0.040 Uiso 0.803(3) 1 calc PR A 1
H33B H 0.1431 0.9210 0.3085 0.040 Uiso 0.803(3) 1 calc PR A 1
C34 C 0.1524(3) 1.0095(2) 0.4442(2) 0.0383(7) Uani 0.803(3) 1 d P A 1
H34A H 0.2476 1.0561 0.4485 0.046 Uiso 0.803(3) 1 calc PR A 1
H34B H 0.0982 1.0545 0.4689 0.046 Uiso 0.803(3) 1 calc PR A 1
C31' C 0.0555(19) 0.8586(17) 0.3293(12) 0.055(5) Uani 0.156(5) 1 d PDU B 2
H31C H 0.0831 0.8122 0.3527 0.083 Uiso 0.156(5) 1 calc PR B 2
H31D H 0.1157 0.8742 0.2911 0.083 Uiso 0.156(5) 1 calc PR B 2
H31E H -0.0436 0.8229 0.2935 0.083 Uiso 0.156(5) 1 calc PR B 2
C32' C 0.072(2) 0.9568(17) 0.4039(14) 0.067(5) Uani 0.156(5) 1 d PDU B 2
H32C H 0.0312 0.9977 0.3793 0.081 Uiso 0.156(5) 1 calc PR B 2
H32D H 0.1750 0.9988 0.4307 0.081 Uiso 0.156(5) 1 calc PR B 2
C33' C 0.0073(14) 0.9484(8) 0.4799(10) 0.053(3) Uani 0.156(5) 1 d PDU . 2
H33C H -0.0857 0.8892 0.4560 0.063 Uiso 0.156(5) 1 calc PR B 2
H33D H 0.0707 0.9386 0.5241 0.063 Uiso 0.156(5) 1 calc PR B 2
C31" C 0.107(8) 0.809(4) 0.386(5) 0.053(3) Uani 0.041(4) 1 d PD C 3
H31F H 0.0220 0.7653 0.3357 0.079 Uiso 0.041(4) 1 calc PR C 3
H31G H 0.1084 0.7766 0.4290 0.079 Uiso 0.041(4) 1 calc PR C 3
H31H H 0.1913 0.8119 0.3637 0.079 Uiso 0.041(4) 1 calc PR C 3
C32" C 0.108(6) 0.916(4) 0.432(6) 0.053(3) Uani 0.041(4) 1 d PD C 3
H32E H 0.2018 0.9578 0.4765 0.063 Uiso 0.041(4) 1 calc PR C 3
H32F H 0.1076 0.9437 0.3857 0.063 Uiso 0.041(4) 1 calc PR C 3
C33" C 0.0073(14) 0.9484(8) 0.4799(10) 0.053(3) Uani 0.041(4) 1 d PD . 3
H33E H 0.0161 0.9269 0.5300 0.063 Uiso 0.041(4) 1 calc PR C 3
H33F H -0.0867 0.8998 0.4376 0.063 Uiso 0.041(4) 1 calc PR C 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
N3 Sn1 N2 97.81(5) .
N3 Sn1 N1 96.59(6) .
N2 Sn1 N1 141.80(5) .
N3 Sn1 P1 111.65(4) .
N2 Sn1 P1 71.21(4) .
N1 Sn1 P1 70.59(4) .
N4 Sn2 C1 101.90(6) .
N4 Sn2 C7 90.50(6) .
C1 Sn2 C7 70.89(6) .
N4 Sn2 P1 107.53(4) .
C1 Sn2 P1 36.71(4) .
C7 Sn2 P1 36.65(4) .
C7 P1 C1 104.61(8) .
C7 P1 C13 110.75(8) .
C1 P1 C13 109.97(8) .
C7 P1 Sn1 91.74(6) .
C1 P1 Sn1 96.26(6) .
C13 P1 Sn1 138.72(6) .
C7 P1 Sn2 54.83(6) .
C1 P1 Sn2 54.35(6) .
C13 P1 Sn2 143.30(6) .
Sn1 P1 Sn2 77.953(16) .
C6 N1 C2 119.65(16) .
C6 N1 Sn1 122.54(12) .
C2 N1 Sn1 116.81(11) .
C12 N2 C8 119.11(16) .
C12 N2 Sn1 124.38(12) .
C8 N2 Sn1 112.87(11) .
Si1 N3 Si2 124.16(9) .
Si1 N3 Sn1 114.77(8) .
Si2 N3 Sn1 121.02(8) .
Si4 N4 Si3 123.55(9) .
Si4 N4 Sn2 123.63(8) .
Si3 N4 Sn2 112.64(7) .
N3 Si1 C20 112.20(9) .
N3 Si1 C19 111.64(8) .
C20 Si1 C19 106.45(10) .
N3 Si1 C21 111.61(9) .
C20 Si1 C21 109.38(11) .
C19 Si1 C21 105.19(9) .
N3 Si2 C23 109.73(8) .
N3 Si2 C24 111.05(9) .
C23 Si2 C24 111.26(10) .
N3 Si2 C22 113.80(8) .
C23 Si2 C22 105.37(10) .
C24 Si2 C22 105.44(10) .
N4 Si3 C25 112.16(9) .
N4 Si3 C27 112.50(9) .
C25 Si3 C27 108.70(10) .
N4 Si3 C26 110.61(8) .
C25 Si3 C26 106.53(9) .
C27 Si3 C26 105.99(9) .
N4 Si4 C29 111.80(8) .
N4 Si4 C28 112.64(8) .
C29 Si4 C28 109.04(9) .
N4 Si4 C30 113.12(8) .
C29 Si4 C30 105.24(9) .
C28 Si4 C30 104.47(9) .
C2 C1 P1 115.55(13) .
C2 C1 Sn2 115.55(12) .
P1 C1 Sn2 88.95(7) .
C2 C1 H100 111.5(11) .
P1 C1 H100 116.4(12) .
Sn2 C1 H100 106.8(11) .
N1 C2 C3 119.75(16) .
N1 C2 C1 118.28(16) .
C3 C2 C1 121.96(16) .
C4 C3 C2 119.75(18) .
C4 C3 H3 120.1 .
C2 C3 H3 120.1 .
C3 C4 C5 119.87(18) .
C3 C4 H4 120.1 .
C5 C4 H4 120.1 .
C6 C5 C4 117.64(18) .
C6 C5 H5 121.2 .
C4 C5 H5 121.2 .
N1 C6 C5 123.33(18) .
N1 C6 H6 118.3 .
C5 C6 H6 118.3 .
C8 C7 P1 116.06(12) .
C8 C7 Sn2 121.39(12) .
P1 C7 Sn2 88.52(7) .
C8 C7 H101 113.5(11) .
P1 C7 H101 115.6(11) .
Sn2 C7 H101 98.6(11) .
N2 C8 C9 119.87(16) .
N2 C8 C7 118.45(15) .
C9 C8 C7 121.67(16) .
C10 C9 C8 120.27(17) .
C10 C9 H9 119.9 .
C8 C9 H9 119.9 .
C9 C10 C11 119.21(18) .
C9 C10 H10 120.4 .
C11 C10 H10 120.4 .
C12 C11 C10 118.22(17) .
C12 C11 H11 120.9 .
C10 C11 H11 120.9 .
N2 C12 C11 123.31(17) .
N2 C12 H12 118.3 .
C11 C12 H12 118.3 .
C14 C13 C18 119.15(17) .
C14 C13 P1 120.70(14) .
C18 C13 P1 120.08(14) .
C15 C14 C13 120.00(19) .
C15 C14 H14 120.0 .
C13 C14 H14 120.0 .
C14 C15 C16 120.3(2) .
C14 C15 H15 119.9 .
C16 C15 H15 119.9 .
C17 C16 C15 120.13(19) .
C17 C16 H16 119.9 .
C15 C16 H16 119.9 .
C16 C17 C18 119.84(19) .
C16 C17 H17 120.1 .
C18 C17 H17 120.1 .
C17 C18 C13 120.59(18) .
C17 C18 H18 119.7 .
C13 C18 H18 119.7 .
Si1 C19 H19A 109.5 .
Si1 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
Si1 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
Si1 C20 H20A 109.5 .
Si1 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
Si1 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
Si1 C21 H21A 109.5 .
Si1 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
Si1 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
Si2 C22 H22A 109.5 .
Si2 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
Si2 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
Si2 C23 H23A 109.5 .
Si2 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
Si2 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
Si2 C24 H24A 109.5 .
Si2 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
Si2 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
Si3 C25 H25A 109.5 .
Si3 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
Si3 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
Si3 C26 H26A 109.5 .
Si3 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
Si3 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
Si3 C27 H27A 109.5 .
Si3 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
Si3 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
Si4 C28 H28A 109.5 .
Si4 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
Si4 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
Si4 C29 H29A 109.5 .
Si4 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
Si4 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Si4 C30 H30A 109.5 .
Si4 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
Si4 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C31 O1 C34 109.4(2) .
O1 C31 C32 106.6(2) .
O1 C31 H31A 110.4 .
C32 C31 H31A 110.4 .
O1 C31 H31B 110.4 .
C32 C31 H31B 110.4 .
H31A C31 H31B 108.6 .
C33 C32 C31 101.5(2) .
C33 C32 H32A 111.5 .
C31 C32 H32A 111.5 .
C33 C32 H32B 111.5 .
C31 C32 H32B 111.5 .
H32A C32 H32B 109.3 .
C32 C33 C34 102.7(2) .
C32 C33 H33A 111.2 .
C34 C33 H33A 111.2 .
C32 C33 H33B 111.2 .
C34 C33 H33B 111.2 .
H33A C33 H33B 109.1 .
O1 C34 C33 106.9(2) .
O1 C34 H34A 110.3 .
C33 C34 H34A 110.3 .
O1 C34 H34B 110.3 .
C33 C34 H34B 110.3 .
H34A C34 H34B 108.6 .
C32' C31' H31C 109.5 .
C32' C31' H31D 109.5 .
H31C C31' H31D 109.5 .
C32' C31' H31E 109.5 .
H31C C31' H31E 109.5 .
H31D C31' H31E 109.5 .
C31' C32' C33' 117.4(19) .
C31' C32' H32C 107.9 .
C33' C32' H32C 107.9 .
C31' C32' H32D 107.9 .
C33' C32' H32D 107.9 .
H32C C32' H32D 107.2 .
C33' C33' C32' 101.7(17) 2_576
C33' C33' H33C 111.4 2_576
C32' C33' H33C 111.4 .
C33' C33' H33D 111.4 2_576
C32' C33' H33D 111.4 .
H33C C33' H33D 109.3 .
C31" C32" H32E 105.4 .
C31" C32" H32F 105.3 .
H32E C32" H32F 106.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 N3 2.0975(15) .
Sn1 N2 2.4789(16) .
Sn1 N1 2.5338(16) .
Sn1 P1 2.6456(5) .
Sn2 N4 2.1438(14) .
Sn2 C1 2.4299(18) .
Sn2 C7 2.4451(18) .
Sn2 P1 2.9900(5) .
P1 C7 1.7853(18) .
P1 C1 1.7875(19) .
P1 C13 1.8202(18) .
N1 C6 1.343(2) .
N1 C2 1.350(2) .
N2 C12 1.349(2) .
N2 C8 1.357(2) .
N3 Si1 1.7277(15) .
N3 Si2 1.7383(16) .
N4 Si4 1.7158(15) .
N4 Si3 1.7253(16) .
Si1 C20 1.868(2) .
Si1 C19 1.877(2) .
Si1 C21 1.878(2) .
Si2 C23 1.861(2) .
Si2 C24 1.863(2) .
Si2 C22 1.875(2) .
Si3 C25 1.873(2) .
Si3 C27 1.874(2) .
Si3 C26 1.8798(19) .
Si4 C29 1.871(2) .
Si4 C28 1.875(2) .
Si4 C30 1.8779(19) .
C1 C2 1.473(2) .
C1 H100 0.989(9) .
C2 C3 1.405(3) .
C3 C4 1.377(3) .
C3 H3 0.9500 .
C4 C5 1.390(3) .
C4 H4 0.9500 .
C5 C6 1.373(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.463(2) .
C7 H101 0.993(9) .
C8 C9 1.405(2) .
C9 C10 1.377(3) .
C9 H9 0.9500 .
C10 C11 1.392(3) .
C10 H10 0.9500 .
C11 C12 1.374(3) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.392(3) .
C13 C18 1.394(3) .
C14 C15 1.387(3) .
C14 H14 0.9500 .
C15 C16 1.388(3) .
C15 H15 0.9500 .
C16 C17 1.377(3) .
C16 H16 0.9500 .
C17 C18 1.388(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
O1 C31 1.398(4) .
O1 C34 1.423(4) .
C31 C32 1.514(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.505(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.536(5) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C31' C32' 1.447(18) .
C31' H31C 0.9800 .
C31' H31D 0.9800 .
C31' H31E 0.9800 .
C32' C33' 1.527(17) .
C32' H32C 0.9900 .
C32' H32D 0.9900 .
C33' C33' 1.463(16) 2_576
C33' H33C 0.9900 .
C33' H33D 0.9900 .
C31" C32" 1.46(2) .
C31" H31F 0.9801 .
C31" H31G 0.9801 .
C31" H31H 0.9801 .
C32" H32E 0.9900 .
C32" H32F 0.9900 .
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_4
N3 Sn1 P1 C7 130.94(7) .
N2 Sn1 P1 C7 39.83(7) .
N1 Sn1 P1 C7 -139.58(7) .
N3 Sn1 P1 C1 -124.15(7) .
N2 Sn1 P1 C1 144.74(7) .
N1 Sn1 P1 C1 -34.67(7) .
N3 Sn1 P1 C13 6.07(10) .
N2 Sn1 P1 C13 -85.04(10) .
N1 Sn1 P1 C13 95.55(10) .
N3 Sn1 P1 Sn2 -175.62(5) .
N2 Sn1 P1 Sn2 93.27(4) .
N1 Sn1 P1 Sn2 -86.14(4) .
N4 Sn2 P1 C7 -65.83(8) .
C1 Sn2 P1 C7 -152.27(10) .
N4 Sn2 P1 C1 86.44(8) .
C7 Sn2 P1 C1 152.27(10) .
N4 Sn2 P1 C13 11.46(11) .
C1 Sn2 P1 C13 -74.99(12) .
C7 Sn2 P1 C13 77.29(12) .
N4 Sn2 P1 Sn1 -166.68(4) .
C1 Sn2 P1 Sn1 106.87(7) .
C7 Sn2 P1 Sn1 -100.85(7) .
N3 Sn1 N1 C6 -50.02(14) .
N2 Sn1 N1 C6 -161.61(12) .
P1 Sn1 N1 C6 -160.70(14) .
N3 Sn1 N1 C2 141.49(12) .
N2 Sn1 N1 C2 29.90(16) .
P1 Sn1 N1 C2 30.81(11) .
N3 Sn1 N2 C12 52.35(15) .
N1 Sn1 N2 C12 163.55(13) .
P1 Sn1 N2 C12 162.64(15) .
N3 Sn1 N2 C8 -149.48(12) .
N1 Sn1 N2 C8 -38.29(15) .
P1 Sn1 N2 C8 -39.19(11) .
N2 Sn1 N3 Si1 -110.70(8) .
N1 Sn1 N3 Si1 104.78(8) .
P1 Sn1 N3 Si1 176.47(6) .
N2 Sn1 N3 Si2 71.79(10) .
N1 Sn1 N3 Si2 -72.73(9) .
P1 Sn1 N3 Si2 -1.04(10) .
C1 Sn2 N4 Si4 -20.67(11) .
C7 Sn2 N4 Si4 -91.23(10) .
P1 Sn2 N4 Si4 -58.23(10) .
C1 Sn2 N4 Si3 154.74(8) .
C7 Sn2 N4 Si3 84.18(8) .
P1 Sn2 N4 Si3 117.18(7) .
Si2 N3 Si1 C20 -64.88(14) .
Sn1 N3 Si1 C20 117.70(10) .
Si2 N3 Si1 C19 175.71(11) .
Sn1 N3 Si1 C19 -1.71(12) .
Si2 N3 Si1 C21 58.30(14) .
Sn1 N3 Si1 C21 -119.12(10) .
Si1 N3 Si2 C23 -117.80(12) .
Sn1 N3 Si2 C23 59.47(12) .
Si1 N3 Si2 C24 118.77(12) .
Sn1 N3 Si2 C24 -63.96(12) .
Si1 N3 Si2 C22 -0.02(15) .
Sn1 N3 Si2 C22 177.25(10) .
Si4 N4 Si3 C25 57.13(13) .
Sn2 N4 Si3 C25 -118.28(9) .
Si4 N4 Si3 C27 -65.79(13) .
Sn2 N4 Si3 C27 118.80(10) .
Si4 N4 Si3 C26 175.90(10) .
Sn2 N4 Si3 C26 0.49(11) .
Si3 N4 Si4 C29 137.53(11) .
Sn2 N4 Si4 C29 -47.55(12) .
Si3 N4 Si4 C28 -99.26(12) .
Sn2 N4 Si4 C28 75.65(12) .
Si3 N4 Si4 C30 18.94(14) .
Sn2 N4 Si4 C30 -166.15(9) .
C7 P1 C1 C2 141.14(13) .
C13 P1 C1 C2 -99.90(14) .
Sn1 P1 C1 C2 47.69(13) .
Sn2 P1 C1 C2 117.99(15) .
C7 P1 C1 Sn2 23.14(8) .
C13 P1 C1 Sn2 142.10(7) .
Sn1 P1 C1 Sn2 -70.30(4) .
N4 Sn2 C1 C2 138.56(12) .
C7 Sn2 C1 C2 -135.09(14) .
P1 Sn2 C1 C2 -117.99(15) .
N4 Sn2 C1 P1 -103.44(7) .
C7 Sn2 C1 P1 -17.09(6) .
C6 N1 C2 C3 -1.0(3) .
Sn1 N1 C2 C3 167.80(13) .
C6 N1 C2 C1 179.81(16) .
Sn1 N1 C2 C1 -11.3(2) .
P1 C1 C2 N1 -28.6(2) .
Sn2 C1 C2 N1 73.28(18) .
P1 C1 C2 C3 152.26(14) .
Sn2 C1 C2 C3 -105.86(17) .
N1 C2 C3 C4 0.2(3) .
C1 C2 C3 C4 179.33(17) .
C2 C3 C4 C5 0.7(3) .
C3 C4 C5 C6 -0.7(3) .
C2 N1 C6 C5 1.0(3) .
Sn1 N1 C6 C5 -167.15(14) .
C4 C5 C6 N1 -0.2(3) .
C1 P1 C7 C8 -147.56(13) .
C13 P1 C7 C8 94.01(14) .
Sn1 P1 C7 C8 -50.63(13) .
Sn2 P1 C7 C8 -124.56(15) .
C1 P1 C7 Sn2 -23.00(8) .
C13 P1 C7 Sn2 -141.43(7) .
Sn1 P1 C7 Sn2 73.93(4) .
N4 Sn2 C7 C8 -120.53(14) .
C1 Sn2 C7 C8 137.05(14) .
P1 Sn2 C7 C8 119.93(16) .
N4 Sn2 C7 P1 119.54(7) .
C1 Sn2 C7 P1 17.12(6) .
C12 N2 C8 C9 1.1(3) .
Sn1 N2 C8 C9 -158.29(13) .
C12 N2 C8 C7 179.92(16) .
Sn1 N2 C8 C7 20.49(19) .
P1 C7 C8 N2 25.6(2) .
Sn2 C7 C8 N2 -79.71(18) .
P1 C7 C8 C9 -155.61(14) .
Sn2 C7 C8 C9 99.04(18) .
N2 C8 C9 C10 0.1(3) .
C7 C8 C9 C10 -178.66(17) .
C8 C9 C10 C11 -1.1(3) .
C9 C10 C11 C12 0.9(3) .
C8 N2 C12 C11 -1.4(3) .
Sn1 N2 C12 C11 155.50(15) .
C10 C11 C12 N2 0.4(3) .
C7 P1 C13 C14 146.29(15) .
C1 P1 C13 C14 31.16(17) .
Sn1 P1 C13 C14 -94.98(16) .
Sn2 P1 C13 C14 87.78(17) .
C7 P1 C13 C18 -36.72(17) .
C1 P1 C13 C18 -151.85(14) .
Sn1 P1 C13 C18 82.01(16) .
Sn2 P1 C13 C18 -95.23(16) .
C18 C13 C14 C15 -0.3(3) .
P1 C13 C14 C15 176.75(16) .
C13 C14 C15 C16 1.1(3) .
C14 C15 C16 C17 -1.1(3) .
C15 C16 C17 C18 0.3(3) .
C16 C17 C18 C13 0.6(3) .
C14 C13 C18 C17 -0.6(3) .
P1 C13 C18 C17 -177.65(15) .
C34 O1 C31 C32 -23.3(3) .
O1 C31 C32 C33 35.3(3) .
C31 C32 C33 C34 -32.5(3) .
C31 O1 C34 C33 1.7(3) .
C32 C33 C34 O1 20.4(3) .
C31' C32' C33' C33' -158(2) 2_576
