#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:01:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180244 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/30/7113082.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_7113082
loop_
_publ_author_name
'Sen, Sakya S.'
'Roesky, Herbert W.'
'Meindl, Kathrin'
'Stern, Daniel'
'Henn, Julian'
'Stückl, A Claudia'
'Stalke, Dietmar'
_publ_section_title
;
 Synthesis, structure, and theoretical investigation of amidinato
 supported 1,4-disilabenzene.
;
_journal_issue                   32
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5873
_journal_page_last               5875
_journal_paper_doi               10.1039/c0cc01753a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C58 H66 N4 Si2, C16 H32 O'
_chemical_formula_sum            'C74 H98 N4 O Si2'
_chemical_formula_weight         1115.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   14.0399(8)
_cell_length_b                   14.0399(8)
_cell_length_c                   28.1188(16)
_cell_measurement_reflns_used    9776
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.694
_cell_measurement_theta_min      2.215
_cell_volume                     4800.2(5)
_computing_cell_refinement       'Bruker AXS SAINT (v 7.46a, Bruker 2007)'
_computing_data_collection       'APEX2 (v2.2-0, Bruker 2007)'
_computing_data_reduction        'Bruker AXS SAINT (v 7.46a, Bruker 2007)'
_computing_molecular_graphics    'Bruker AXS SHELXTL (v 6.3.1, Bruker 2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0107
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            94002
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_T_max  0.9888
_exptl_absorpt_correction_T_min  0.9818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/2 (Sheldrick, 2008)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1818
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6575
_refine_ls_number_restraints     429
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0620
_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)+(0.1144P)²+1.6788P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1755
_refine_ls_wR_factor_ref         0.1781
_reflns_number_gt                6279
_reflns_number_total             6575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc01753a.txt
_cod_data_source_block           p3121_3
_cod_database_code               7113082
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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 0.4698(2) 0.7970(2) 0.01489(8) 0.0392(5) Uani 1 1 d . A .
C2 C 0.4106(2) 0.8598(2) 0.01852(10) 0.0451(6) Uani 1 1 d . . .
C3 C 0.3879(3) 0.8874(3) 0.06255(12) 0.0542(7) Uani 1 1 d . . .
H3 H 0.4109 0.8672 0.0907 0.065 Uiso 1 1 calc R . .
C4 C 0.3312(3) 0.9451(3) 0.06539(14) 0.0654(8) Uani 1 1 d . . .
H4 H 0.3152 0.9643 0.0956 0.078 Uiso 1 1 calc R . .
C5 C 0.2981(3) 0.9743(3) 0.02438(17) 0.0690(10) Uani 1 1 d . . .
H5 H 0.2588 1.0129 0.0264 0.083 Uiso 1 1 calc R . .
C6 C 0.3217(3) 0.9480(3) -0.01923(15) 0.0640(9) Uani 1 1 d . . .
H6 H 0.2994 0.9692 -0.0473 0.077 Uiso 1 1 calc R . .
C7 C 0.3778(3) 0.8906(2) -0.02280(12) 0.0533(7) Uani 1 1 d . . .
H7 H 0.3939 0.8724 -0.0531 0.064 Uiso 1 1 calc R . .
C8 C 0.3114(2) 0.5985(2) 0.02398(11) 0.0459(6) Uani 1 1 d . A .
C9 C 0.3125(3) 0.4936(3) 0.0126(2) 0.0869(14) Uani 1 1 d . . .
H9A H 0.3396 0.4976 -0.0199 0.130 Uiso 1 1 calc R . .
H9B H 0.2377 0.4307 0.0153 0.130 Uiso 1 1 calc R . .
H9C H 0.3608 0.4846 0.0351 0.130 Uiso 1 1 calc R . .
C10 C 0.2325(3) 0.6106(3) -0.00804(13) 0.0645(9) Uani 1 1 d . . .
H10A H 0.2260 0.6739 0.0022 0.097 Uiso 1 1 calc R . .
H10B H 0.1602 0.5438 -0.0064 0.097 Uiso 1 1 calc R . .
H10C H 0.2598 0.6222 -0.0408 0.097 Uiso 1 1 calc R . .
C11 C 0.2787(3) 0.5966(4) 0.07563(13) 0.0731(10) Uani 1 1 d . . .
H11A H 0.3313 0.5901 0.0963 0.110 Uiso 1 1 calc R . .
H11B H 0.2049 0.5337 0.0809 0.110 Uiso 1 1 calc R . .
H11C H 0.2787 0.6649 0.0830 0.110 Uiso 1 1 calc R . .
C12 C 0.6696(2) 0.9542(2) 0.00252(11) 0.0467(6) Uani 1 1 d . A .
C13 C 0.7739(3) 0.9466(3) -0.00046(17) 0.0686(10) Uani 1 1 d . . .
H13A H 0.7811 0.9116 0.0284 0.103 Uiso 1 1 calc R . .
H13B H 0.8378 1.0207 -0.0034 0.103 Uiso 1 1 calc R . .
H13C H 0.7698 0.9027 -0.0283 0.103 Uiso 1 1 calc R . .
C14 C 0.6773(3) 1.0243(3) 0.04566(12) 0.0580(8) Uani 1 1 d . . .
H14A H 0.6118 1.0322 0.0469 0.087 Uiso 1 1 calc R . .
H14B H 0.7431 1.0971 0.0429 0.087 Uiso 1 1 calc R . .
H14C H 0.6819 0.9884 0.0748 0.087 Uiso 1 1 calc R . .
C15 C 0.6575(3) 1.0054(3) -0.04301(11) 0.0554(7) Uani 1 1 d . . .
H15A H 0.6508 0.9586 -0.0701 0.083 Uiso 1 1 calc R . .
H15B H 0.7222 1.0785 -0.0473 0.083 Uiso 1 1 calc R . .
H15C H 0.5914 1.0123 -0.0410 0.083 Uiso 1 1 calc R . .
C16 C 0.6056(2) 0.6492(2) 0.05646(8) 0.0385(5) Uani 1 1 d . . .
C17 C 0.5979(2) 0.6698(2) -0.05040(7) 0.0356(4) Uani 1 1 d . . .
C18 C 0.5473(4) 0.6341(4) 0.10360(11) 0.0440(11) Uani 0.532(6) 1 d PGU A 1
C19 C 0.5390(5) 0.7208(4) 0.12282(15) 0.0554(14) Uani 0.532(6) 1 d PGU A 1
H19 H 0.5726 0.7900 0.1072 0.066 Uiso 0.532(6) 1 calc PR A 1
C20 C 0.4816(6) 0.7063(5) 0.16496(15) 0.0730(18) Uani 0.532(6) 1 d PGU A 1
H20 H 0.4759 0.7656 0.1781 0.088 Uiso 0.532(6) 1 calc PR A 1
C21 C 0.4324(5) 0.6050(6) 0.18788(13) 0.079(2) Uani 0.532(6) 1 d PGU A 1
H21 H 0.3931 0.5951 0.2167 0.095 Uiso 0.532(6) 1 calc PR A 1
C22 C 0.4407(5) 0.5183(5) 0.16866(15) 0.0700(18) Uani 0.532(6) 1 d PGU A 1
H22 H 0.4072 0.4491 0.1843 0.084 Uiso 0.532(6) 1 calc PR A 1
C23 C 0.4982(5) 0.5328(4) 0.12652(14) 0.0513(15) Uani 0.532(6) 1 d PGU A 1
H23 H 0.5039 0.4735 0.1134 0.062 Uiso 0.532(6) 1 calc PR A 1
C18' C 0.5718(4) 0.6658(4) 0.10528(6) 0.0440(11) Uani 0.468(6) 1 d PGU A 2
C19' C 0.5761(4) 0.7628(4) 0.11939(6) 0.0554(14) Uani 0.468(6) 1 d PGU A 2
H19' H 0.6086 0.8253 0.0991 0.066 Uiso 0.468(6) 1 calc PR A 2
C20' C 0.5331(5) 0.7683(5) 0.16314(7) 0.0730(18) Uani 0.468(6) 1 d PGU A 2
H20' H 0.5361 0.8346 0.1728 0.088 Uiso 0.468(6) 1 calc PR A 2
C21' C 0.4856(5) 0.6768(6) 0.19278(7) 0.079(2) Uani 0.468(6) 1 d PGU A 2
H21' H 0.4562 0.6806 0.2227 0.095 Uiso 0.468(6) 1 calc PR A 2
C22' C 0.4813(5) 0.5798(6) 0.17867(8) 0.0700(18) Uani 0.468(6) 1 d PGU A 2
H22' H 0.4488 0.5173 0.1989 0.084 Uiso 0.468(6) 1 calc PR A 2
C23' C 0.5243(5) 0.5743(5) 0.13492(9) 0.0513(15) Uani 0.468(6) 1 d PGU A 2
H23' H 0.5213 0.5080 0.1253 0.062 Uiso 0.468(6) 1 calc PR A 2
C24 C 0.58223(15) 0.72555(15) -0.09231(6) 0.0359(5) Uani 1 1 d R A .
C25 C 0.66892(17) 0.78623(18) -0.12374(6) 0.0442(6) Uani 1 1 d R . .
H25 H 0.7371 0.7885 -0.1194 0.053 Uiso 1 1 calc R . .
C26 C 0.6561(3) 0.8434(3) -0.16135(9) 0.0526(7) Uani 1 1 d . A .
H26 H 0.7161 0.8846 -0.1823 0.063 Uiso 1 1 calc R . .
C27 C 0.5580(3) 0.8414(3) -0.16880(10) 0.0552(7) Uani 1 1 d . . .
H27 H 0.5506 0.8822 -0.1941 0.066 Uiso 1 1 calc R A .
C28 C 0.4718(3) 0.7798(3) -0.13919(10) 0.0560(7) Uani 1 1 d . A .
H28 H 0.4032 0.7758 -0.1446 0.067 Uiso 1 1 calc R . .
C29 C 0.4828(2) 0.7226(2) -0.10110(9) 0.0446(6) Uani 1 1 d . . .
H29 H 0.4217 0.6809 -0.0808 0.054 Uiso 1 1 calc R A .
N1 N 0.42662(17) 0.68885(18) 0.01645(7) 0.0375(4) Uani 1 1 d . . .
N2 N 0.57844(17) 0.83936(17) 0.00856(7) 0.0380(4) Uani 1 1 d . . .
Si1 Si 0.56293(6) 0.70026(6) 0.00695(2) 0.03479(17) Uani 1 1 d . A .
O70 O 0.087(3) 1.384(2) 0.1663(11) 0.292(11) Uani 0.50 1 d PDU . -1
C71 C -0.027(3) 1.3529(18) 0.1666(16) 0.269(10) Uani 0.50 1 d PDU . -1
H71A H -0.0446 1.3883 0.1402 0.323 Uiso 0.50 1 calc PR . -1
H71B H -0.0478 1.3730 0.1971 0.323 Uiso 0.50 1 calc PR . -1
C72 C -0.087(3) 1.2262(17) 0.1601(10) 0.274(12) Uani 0.50 1 d PDU . -1
H72A H -0.1103 1.1884 0.1913 0.329 Uiso 0.50 1 calc PR . -1
H72B H -0.1530 1.2007 0.1397 0.329 Uiso 0.50 1 calc PR . -1
C73 C -0.002(3) 1.2045(19) 0.1364(8) 0.262(11) Uani 0.50 1 d PDU . -1
H73A H -0.0132 1.1975 0.1016 0.314 Uiso 0.50 1 calc PR . -1
H73B H -0.0079 1.1357 0.1488 0.314 Uiso 0.50 1 calc PR . -1
C74 C 0.112(3) 1.303(2) 0.1484(12) 0.288(11) Uani 0.50 1 d PDU . -1
H74A H 0.1496 1.2836 0.1728 0.345 Uiso 0.50 1 calc PR . -1
H74B H 0.1585 1.3306 0.1197 0.345 Uiso 0.50 1 calc PR . -1
C81 C 1.0994(19) 1.121(2) 0.0439(6) 0.437(10) Uani 1 1 d DU . .
H81A H 1.0850 1.0453 0.0393 0.525 Uiso 1 1 calc R . .
H81B H 1.0734 1.1427 0.0153 0.525 Uiso 1 1 calc R . .
C82 C 1.036(2) 1.126(2) 0.0893(8) 0.419(11) Uani 1 1 d DU . .
H82A H 1.0767 1.1928 0.1093 0.503 Uiso 1 1 calc R . .
H82B H 0.9589 1.1079 0.0837 0.503 Uiso 1 1 calc R . .
C83 C 1.0515(17) 1.0260(16) 0.1032(8) 0.412(9) Uani 1 1 d DU . .
H83A H 1.0042 0.9849 0.1305 0.494 Uiso 1 1 calc R . .
H83B H 1.0341 0.9751 0.0760 0.494 Uiso 1 1 calc R . .
C84 C 1.1725(16) 1.0799(14) 0.1163(5) 0.327(8) Uani 1 1 d DU . .
H84A H 1.2017 1.0362 0.1012 0.393 Uiso 1 1 calc R . .
H84B H 1.1762 1.0717 0.1512 0.393 Uiso 1 1 calc R . .
C85 C 1.2520(19) 1.2004(17) 0.1045(7) 0.424(11) Uani 1 1 d DU . .
H85A H 1.3296 1.2199 0.1090 0.509 Uiso 1 1 calc R . .
H85B H 1.2367 1.2507 0.1234 0.509 Uiso 1 1 calc R . .
C86 C 1.2226(19) 1.1996(17) 0.0508(6) 0.365(9) Uani 1 1 d DU . .
H86A H 1.2421 1.2747 0.0406 0.437 Uiso 1 1 calc R . .
H86B H 1.2650 1.1752 0.0311 0.437 Uiso 1 1 calc R . .
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'
Si Si 0.0817 0.0704 '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'
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
N1 C1 N2 106.2(2) . .
N1 C1 C2 127.3(2) . .
N2 C1 C2 126.4(2) . .
N1 C1 Si1 53.19(13) . .
N2 C1 Si1 53.05(12) . .
C2 C1 Si1 178.37(19) . .
C3 C2 C7 120.1(3) . .
C3 C2 C1 120.2(2) . .
C7 C2 C1 119.7(2) . .
C2 C3 C4 119.6(3) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 120.0(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C6 C5 C4 120.4(3) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C7 120.5(3) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C6 C7 C2 119.5(3) . .
C6 C7 H7 120.3 . .
C2 C7 H7 120.3 . .
N1 C8 C10 111.5(2) . .
N1 C8 C11 109.9(3) . .
C10 C8 C11 109.9(3) . .
N1 C8 C9 105.3(2) . .
C10 C8 C9 110.5(3) . .
C11 C8 C9 109.6(3) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N2 C12 C15 111.7(2) . .
N2 C12 C13 105.5(2) . .
C15 C12 C13 109.1(3) . .
N2 C12 C14 110.6(3) . .
C15 C12 C14 110.6(2) . .
C13 C12 C14 109.1(3) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C18' 121.1(2) 4 .
C17 C16 C18 118.0(3) 4 .
C18' C16 C18 15.5(3) . .
C17 C16 Si1 122.14(16) 4 .
C18' C16 Si1 116.7(2) . .
C18 C16 Si1 118.0(2) . .
C16 C17 C24 119.63(18) 4 .
C16 C17 Si1 123.01(16) 4 .
C24 C17 Si1 117.03(17) . .
C19 C18 C23 120.0 . .
C19 C18 C16 119.5(3) . .
C23 C18 C16 120.4(3) . .
C20 C19 C18 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C18 120.0 . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
C19' C18' C23' 120.0 . .
C19' C18' C16 123.20(18) . .
C23' C18' C16 116.49(19) . .
C18' C19' C20' 120.0 . .
C18' C19' H19' 120.0 . .
C20' C19' H19' 120.0 . .
C21' C20' C19' 120.0 . .
C21' C20' H20' 120.0 . .
C19' C20' H20' 120.0 . .
C22' C21' C20' 120.0 . .
C22' C21' H21' 120.0 . .
C20' C21' H21' 120.0 . .
C23' C22' C21' 120.0 . .
C23' C22' H22' 120.0 . .
C21' C22' H22' 120.0 . .
C22' C23' C18' 120.0 . .
C22' C23' H23' 120.0 . .
C18' C23' H23' 120.0 . .
C25 C24 C29 117.33(16) . .
C25 C24 C17 120.52(14) . .
C29 C24 C17 122.12(19) . .
C26 C25 C24 120.5(2) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C27 C26 C25 121.3(3) . .
C27 C26 H26 119.4 . .
C25 C26 H26 119.4 . .
C28 C27 C26 118.7(3) . .
C28 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
C27 C28 C29 121.1(3) . .
C27 C28 H28 119.4 . .
C29 C28 H28 119.4 . .
C28 C29 C24 121.0(3) . .
C28 C29 H29 119.5 . .
C24 C29 H29 119.5 . .
C1 N1 C8 131.3(2) . .
C1 N1 Si1 92.02(16) . .
C8 N1 Si1 136.62(18) . .
C1 N2 C12 131.9(2) . .
C1 N2 Si1 91.56(16) . .
C12 N2 Si1 136.44(18) . .
C17 Si1 C16 114.46(11) . .
C17 Si1 N2 111.71(11) . .
C16 Si1 N2 120.88(11) . .
C17 Si1 N1 120.03(10) . .
C16 Si1 N1 112.82(10) . .
N2 Si1 N1 70.17(9) . .
C17 Si1 C1 121.77(10) . .
C16 Si1 C1 123.77(10) . .
N2 Si1 C1 35.39(10) . .
N1 Si1 C1 34.79(10) . .
C74 O70 C71 116(3) . .
O70 C71 C72 104(2) . .
O70 C71 H71A 111.0 . .
C72 C71 H71A 111.0 . .
O70 C71 H71B 111.0 . .
C72 C71 H71B 111.0 . .
H71A C71 H71B 109.0 . .
C73 C72 C71 104.3(14) . .
C73 C72 H72A 110.9 . .
C71 C72 H72A 110.9 . .
C73 C72 H72B 110.9 . .
C71 C72 H72B 110.9 . .
H72A C72 H72B 108.9 . .
C72 C73 C74 106.6(15) . .
C72 C73 C82 150(2) . 1_455
C74 C73 C82 102(2) . 1_455
C72 C73 H73A 110.4 . .
C74 C73 H73A 110.4 . .
C82 C73 H73A 49.3 1_455 .
C72 C73 H73B 110.4 . .
C74 C73 H73B 110.4 . .
C82 C73 H73B 66.7 1_455 .
H73A C73 H73B 108.6 . .
O70 C74 C73 104(2) . .
O70 C74 H74A 111.0 . .
C73 C74 H74A 111.0 . .
O70 C74 H74B 111.0 . .
C73 C74 H74B 111.0 . .
H74A C74 H74B 109.0 . .
C86 C81 C82 109.1(15) . .
C86 C81 H81A 109.9 . .
C82 C81 H81A 109.9 . .
C86 C81 H81B 109.9 . .
C82 C81 H81B 109.9 . .
H81A C81 H81B 108.3 . .
C83 C82 C81 79.9(11) . .
C83 C82 C73 122.1(15) . 1_655
C81 C82 C73 153(2) . 1_655
C83 C82 H82A 115.3 . .
C81 C82 H82A 115.3 . .
C73 C82 H82A 43.8 1_655 .
C83 C82 H82B 115.3 . .
C81 C82 H82B 115.3 . .
C73 C82 H82B 71.9 1_655 .
H82A C82 H82B 112.3 . .
C84 C83 C82 103.6(13) . .
C84 C83 H83A 111.0 . .
C82 C83 H83A 111.0 . .
C84 C83 H83B 111.0 . .
C82 C83 H83B 111.0 . .
H83A C83 H83B 109.0 . .
C83 C84 C85 121.0(11) . .
C83 C84 H84A 107.1 . .
C85 C84 H84A 107.1 . .
C83 C84 H84B 107.1 . .
C85 C84 H84B 107.1 . .
H84A C84 H84B 106.8 . .
C84 C85 C86 99.1(13) . .
C84 C85 H85A 111.9 . .
C86 C85 H85A 111.9 . .
C84 C85 H85B 111.9 . .
C86 C85 H85B 111.9 . .
H85A C85 H85B 109.6 . .
C81 C86 C85 109.0(12) . .
C81 C86 H86A 109.9 . .
C85 C86 H86A 109.9 . .
C81 C86 H86B 109.9 . .
C85 C86 H86B 109.9 . .
H86A C86 H86B 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.324(3) .
C1 N2 1.344(3) .
C1 C2 1.487(3) .
C1 Si1 2.319(2) .
C2 C3 1.382(4) .
C2 C7 1.396(4) .
C3 C4 1.393(4) .
C3 H3 0.9500 .
C4 C5 1.380(6) .
C4 H4 0.9500 .
C5 C6 1.368(6) .
C5 H5 0.9500 .
C6 C7 1.383(4) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 N1 1.489(3) .
C8 C10 1.502(4) .
C8 C11 1.519(5) .
C8 C9 1.514(5) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 N2 1.485(3) .
C12 C15 1.519(4) .
C12 C13 1.522(4) .
C12 C14 1.531(4) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.418(3) 4
C16 C18' 1.508(3) .
C16 C18 1.516(4) .
C16 Si1 1.800(2) .
C17 C16 1.418(3) 4
C17 C24 1.491(3) .
C17 Si1 1.799(2) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C19 H19 0.9500 .
C20 C21 1.3900 .
C20 H20 0.9500 .
C21 C22 1.3900 .
C21 H21 0.9500 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 H23 0.9500 .
C18' C19' 1.3900 .
C18' C23' 1.3900 .
C19' C20' 1.3900 .
C19' H19' 0.9500 .
C20' C21' 1.3900 .
C20' H20' 0.9500 .
C21' C22' 1.3900 .
C21' H21' 0.9500 .
C22' C23' 1.3900 .
C22' H22' 0.9500 .
C23' H23' 0.9500 .
C24 C25 1.3969 .
C24 C29 1.398(3) .
C25 C26 1.392(4) .
C25 H25 0.9500 .
C26 C27 1.380(5) .
C26 H26 0.9500 .
C27 C28 1.363(5) .
C27 H27 0.9500 .
C28 C29 1.393(4) .
C28 H28 0.9500 .
C29 H29 0.9500 .
N1 Si1 1.858(2) .
N2 Si1 1.854(2) .
O70 C74 1.432(16) .
O70 C71 1.437(16) .
C71 C72 1.552(15) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73 1.530(19) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74 1.539(16) .
C73 C82 1.96(3) 1_455
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C81 C86 1.529(14) .
C81 C82 1.579(12) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 C83 1.580(12) .
C82 C73 1.96(3) 1_655
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 C84 1.519(14) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 C85 1.526(12) .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 C86 1.564(12) .
C85 H85A 0.9900 .
C85 H85B 0.9900 .
C86 H86A 0.9900 .
C86 H86B 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_1
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 85.8(4) . .
N2 C1 C2 C3 -95.4(4) . .
Si1 C1 C2 C3 -166(7) . .
N1 C1 C2 C7 -94.1(3) . .
N2 C1 C2 C7 84.7(4) . .
Si1 C1 C2 C7 14(8) . .
C7 C2 C3 C4 0.7(5) . .
C1 C2 C3 C4 -179.2(3) . .
C2 C3 C4 C5 -0.1(5) . .
C3 C4 C5 C6 -0.7(5) . .
C4 C5 C6 C7 0.8(5) . .
C5 C6 C7 C2 -0.1(5) . .
C3 C2 C7 C6 -0.6(5) . .
C1 C2 C7 C6 179.3(3) . .
C17 C16 C18 C19 143.0(3) 4 .
C18' C16 C18 C19 37.2(10) . .
Si1 C16 C18 C19 -52.3(4) . .
C17 C16 C18 C23 -39.8(4) 4 .
C18' C16 C18 C23 -145.7(13) . .
Si1 C16 C18 C23 124.8(3) . .
C23 C18 C19 C20 0.0 . .
C16 C18 C19 C20 177.1(4) . .
C18 C19 C20 C21 0.0 . .
C19 C20 C21 C22 0.0 . .
C20 C21 C22 C23 0.0 . .
C21 C22 C23 C18 0.0 . .
C19 C18 C23 C22 0.0 . .
C16 C18 C23 C22 -177.1(4) . .
C17 C16 C18' C19' 136.7(3) 4 .
C18 C16 C18' C19' -140.5(12) . .
Si1 C16 C18' C19' -42.0(4) . .
C17 C16 C18' C23' -49.8(3) 4 .
C18 C16 C18' C23' 33.0(11) . .
Si1 C16 C18' C23' 131.5(2) . .
C23' C18' C19' C20' 0.0 . .
C16 C18' C19' C20' 173.3(2) . .
C18' C19' C20' C21' 0.0 . .
C19' C20' C21' C22' 0.0 . .
C20' C21' C22' C23' 0.0 . .
C21' C22' C23' C18' 0.0 . .
C19' C18' C23' C22' 0.0 . .
C16 C18' C23' C22' -173.75(19) . .
C16 C17 C24 C25 -47.7(3) 4 .
Si1 C17 C24 C25 125.89(16) . .
C16 C17 C24 C29 134.3(3) 4 .
Si1 C17 C24 C29 -52.1(3) . .
C29 C24 C25 C26 1.7(3) . .
C17 C24 C25 C26 -176.3(2) . .
C24 C25 C26 C27 -0.3(4) . .
C25 C26 C27 C28 -1.6(5) . .
C26 C27 C28 C29 2.1(5) . .
C27 C28 C29 C24 -0.7(5) . .
C25 C24 C29 C28 -1.2(3) . .
C17 C24 C29 C28 176.8(2) . .
N2 C1 N1 C8 178.1(2) . .
C2 C1 N1 C8 -2.8(4) . .
Si1 C1 N1 C8 179.1(3) . .
N2 C1 N1 Si1 -0.97(19) . .
C2 C1 N1 Si1 178.1(2) . .
C10 C8 N1 C1 49.7(4) . .
C11 C8 N1 C1 -72.5(4) . .
C9 C8 N1 C1 169.6(3) . .
C10 C8 N1 Si1 -131.6(3) . .
C11 C8 N1 Si1 106.2(3) . .
C9 C8 N1 Si1 -11.7(4) . .
N1 C1 N2 C12 177.7(3) . .
C2 C1 N2 C12 -1.3(4) . .
Si1 C1 N2 C12 176.8(3) . .
N1 C1 N2 Si1 0.97(19) . .
C2 C1 N2 Si1 -178.1(2) . .
C15 C12 N2 C1 -64.5(4) . .
C13 C12 N2 C1 177.1(3) . .
C14 C12 N2 C1 59.2(4) . .
C15 C12 N2 Si1 110.8(3) . .
C13 C12 N2 Si1 -7.6(4) . .
C14 C12 N2 Si1 -125.4(2) . .
C16 C17 Si1 C16 3.5(2) 4 .
C24 C17 Si1 C16 -169.93(17) . .
C16 C17 Si1 N2 145.5(2) 4 .
C24 C17 Si1 N2 -27.9(2) . .
C16 C17 Si1 N1 -135.6(2) 4 .
C24 C17 Si1 N1 51.0(2) . .
C16 C17 Si1 C1 -176.3(2) 4 .
C24 C17 Si1 C1 10.3(2) . .
C17 C16 Si1 C17 5.3(2) 4 .
C18' C16 Si1 C17 -176.1(3) . .
C18 C16 Si1 C17 -158.7(3) . .
C17 C16 Si1 N2 -132.9(2) 4 .
C18' C16 Si1 N2 45.7(3) . .
C18 C16 Si1 N2 63.1(3) . .
C17 C16 Si1 N1 147.3(2) 4 .
C18' C16 Si1 N1 -34.1(3) . .
C18 C16 Si1 N1 -16.7(3) . .
C17 C16 Si1 C1 -174.98(19) 4 .
C18' C16 Si1 C1 3.7(3) . .
C18 C16 Si1 C1 21.0(3) . .
C1 N2 Si1 C17 114.70(16) . .
C12 N2 Si1 C17 -61.8(3) . .
C1 N2 Si1 C16 -106.05(16) . .
C12 N2 Si1 C16 77.4(3) . .
C1 N2 Si1 N1 -0.70(14) . .
C12 N2 Si1 N1 -177.2(3) . .
C12 N2 Si1 C1 -176.5(3) . .
C1 N1 Si1 C17 -103.52(17) . .
C8 N1 Si1 C17 77.5(3) . .
C1 N1 Si1 C16 116.84(16) . .
C8 N1 Si1 C16 -62.2(3) . .
C1 N1 Si1 N2 0.71(14) . .
C8 N1 Si1 N2 -178.3(3) . .
C8 N1 Si1 C1 -179.0(3) . .
N1 C1 Si1 C17 98.06(17) . .
N2 C1 Si1 C17 -83.10(18) . .
C2 C1 Si1 C17 -12(7) . .
N1 C1 Si1 C16 -81.67(18) . .
N2 C1 Si1 C16 97.17(18) . .
C2 C1 Si1 C16 169(7) . .
N1 C1 Si1 N2 -178.8(2) . .
C2 C1 Si1 N2 71(7) . .
N2 C1 Si1 N1 178.8(2) . .
C2 C1 Si1 N1 -110(7) . .
C74 O70 C71 C72 16(4) . .
O70 C71 C72 C73 -23(3) . .
C71 C72 C73 C74 23(3) . .
C71 C72 C73 C82 -139(3) . 1_455
C71 O70 C74 C73 -1(3) . .
C72 C73 C74 O70 -14(3) . .
C82 C73 C74 O70 157(2) 1_455 .
C86 C81 C82 C83 -93.4(17) . .
C86 C81 C82 C73 54(4) . 1_655
C81 C82 C83 C84 74.5(17) . .
C73 C82 C83 C84 -89(2) 1_655 .
C82 C83 C84 C85 -13(2) . .
C83 C84 C85 C86 -50(2) . .
C82 C81 C86 C85 35(2) . .
C84 C85 C86 C81 35.5(18) . .
