#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:15:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178685 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/96/4079604.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_4079604
loop_
_publ_author_name
'Azhakar, Ramachandran'
'Pröpper, Kevin'
'Dittrich, Birger'
'Roesky, Herbert W.'
_publ_section_title
;
 Reactivity Studies of Heteroleptic Silylenes with N2O
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              7586
_journal_paper_doi               10.1021/om3008794
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C54 H66 N4 O2 P2 Si2'
_chemical_formula_sum            'C54 H66 N4 O2 P2 Si2'
_chemical_formula_weight         921.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.924(3)
_cell_length_b                   11.621(2)
_cell_length_c                   15.686(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2481.6(9)
_computing_cell_refinement       'SAINT (Bruker 2009)'
_computing_data_collection       'APEX2 (Bruker 2009)'
_computing_data_reduction        'SAINT (Bruker 2009)'
_computing_molecular_graphics    'SHELXTL (Bruker 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            56668
_diffrn_reflns_theta_full        72.37
_diffrn_reflns_theta_max         72.37
_diffrn_reflns_theta_min         3.86
_exptl_absorpt_coefficient_mu    1.604
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6733
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         4892
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0514P)²+1.2271P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                4624
_reflns_number_total             4892
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3008794_si_002.cif
_cod_data_source_block           101
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4079604
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Si1 Si 1.00646(2) 0.50714(3) 0.92208(2) 0.01592(10) Uani 1 1 d U . .
C1 C 1.01917(10) 0.66041(11) 0.82616(8) 0.0192(3) Uani 1 1 d U . .
P1 P 0.97803(2) 0.33593(3) 0.84891(2) 0.01848(10) Uani 1 1 d U . .
N1 N 0.93888(8) 0.59987(9) 0.82111(7) 0.0191(2) Uani 1 1 d U A .
O1 O 0.92505(6) 0.54504(8) 0.98146(5) 0.01803(19) Uani 1 1 d U . .
N2 N 1.08942(8) 0.61212(10) 0.88959(7) 0.0191(2) Uani 1 1 d U . .
C2 C 1.03087(10) 0.76596(12) 0.77530(9) 0.0222(3) Uani 1 1 d U . .
C7 C 1.03405(11) 0.87325(13) 0.81507(10) 0.0262(3) Uani 1 1 d U . .
H7 H 1.0329(13) 0.8753(16) 0.8746(13) 0.031 Uiso 1 1 d . . .
C6 C 1.04030(13) 0.97275(13) 0.76777(11) 0.0333(3) Uani 1 1 d U . .
H6 H 1.0403(14) 1.0453(18) 0.7946(13) 0.040 Uiso 1 1 d . . .
C5 C 1.04398(15) 0.96539(14) 0.68008(12) 0.0398(4) Uani 1 1 d U . .
H5 H 1.0475(15) 1.0352(19) 0.6474(14) 0.048 Uiso 1 1 d . . .
C4 C 1.04175(15) 0.85873(15) 0.64019(11) 0.0388(4) Uani 1 1 d U . .
H4 H 1.0447(15) 0.8509(18) 0.5809(15) 0.047 Uiso 1 1 d . . .
C3 C 1.03507(12) 0.75879(13) 0.68733(10) 0.0292(3) Uani 1 1 d U . .
H3 H 1.0361(13) 0.6855(18) 0.6614(12) 0.035 Uiso 1 1 d . . .
C8 C 0.83772(10) 0.62221(12) 0.77020(9) 0.0227(3) Uani 1 1 d U . .
C9' C 0.7805(18) 0.532(2) 0.7924(16) 0.040(4) Uani 0.196(14) 1 d PU A 1
H9A' H 0.7121 0.5426 0.7616 0.060 Uiso 0.196(14) 1 calc PR A 1
H9B' H 0.7841 0.5332 0.8554 0.060 Uiso 0.196(14) 1 calc PR A 1
H9C' H 0.8053 0.4588 0.7756 0.060 Uiso 0.196(14) 1 calc PR A 1
C10' C 0.8396(13) 0.626(3) 0.6752(11) 0.068(6) Uani 0.196(14) 1 d PU A 1
H1A' H 0.7726 0.6356 0.6411 0.103 Uiso 0.196(14) 1 calc PR A 1
H1B' H 0.8669 0.5534 0.6585 0.103 Uiso 0.196(14) 1 calc PR A 1
H1C' H 0.8805 0.6901 0.6639 0.103 Uiso 0.196(14) 1 calc PR A 1
C11' C 0.8098(14) 0.7402(18) 0.805(3) 0.072(7) Uani 0.196(14) 1 d PU A 1
HA1' H 0.8636 0.7950 0.8066 0.108 Uiso 0.196(14) 1 calc PR A 1
HB1' H 0.7983 0.7303 0.8644 0.108 Uiso 0.196(14) 1 calc PR A 1
HC1' H 0.7500 0.7696 0.7671 0.108 Uiso 0.196(14) 1 calc PR A 1
C9 C 0.7661(4) 0.5529(4) 0.8136(3) 0.0282(8) Uani 0.804(14) 1 d PU A 2
H9A H 0.6991 0.5615 0.7793 0.042 Uiso 0.804(14) 1 calc PR A 2
H9B H 0.7693 0.5819 0.8728 0.042 Uiso 0.804(14) 1 calc PR A 2
H9C H 0.7847 0.4715 0.8162 0.042 Uiso 0.804(14) 1 calc PR A 2
C10 C 0.8265(3) 0.5767(3) 0.6763(2) 0.0304(8) Uani 0.804(14) 1 d PU A 2
H10A H 0.7603 0.5940 0.6430 0.046 Uiso 0.804(14) 1 calc PR A 2
H10B H 0.8369 0.4933 0.6777 0.046 Uiso 0.804(14) 1 calc PR A 2
H10C H 0.8752 0.6139 0.6485 0.046 Uiso 0.804(14) 1 calc PR A 2
C11 C 0.8072(3) 0.7488(3) 0.7672(2) 0.0265(7) Uani 0.804(14) 1 d PU A 2
H11A H 0.8470 0.7928 0.7341 0.040 Uiso 0.804(14) 1 calc PR A 2
H11B H 0.8173 0.7791 0.8268 0.040 Uiso 0.804(14) 1 calc PR A 2
H11C H 0.7376 0.7556 0.7389 0.040 Uiso 0.804(14) 1 calc PR A 2
C12 C 1.19676(10) 0.63810(12) 0.91541(9) 0.0234(3) Uani 1 1 d U . .
C13 C 1.23871(11) 0.69029(14) 0.84098(10) 0.0296(3) Uani 1 1 d U . .
H13A H 1.2218(15) 0.6425(18) 0.7876(14) 0.044 Uiso 1 1 d . . .
H13B H 1.3109(16) 0.6907(18) 0.8582(13) 0.044 Uiso 1 1 d . . .
H13C H 1.2146(15) 0.7703(19) 0.8269(14) 0.044 Uiso 1 1 d . . .
C14 C 1.21412(12) 0.71996(16) 0.99358(11) 0.0339(4) Uani 1 1 d U . .
H14A H 1.2860(17) 0.7321(19) 1.0145(14) 0.051 Uiso 1 1 d . . .
H14B H 1.1890(16) 0.6854(19) 1.0412(15) 0.051 Uiso 1 1 d . . .
H14C H 1.1860(16) 0.796(2) 0.9758(14) 0.051 Uiso 1 1 d . . .
C15 C 1.25082(11) 0.52473(15) 0.94150(11) 0.0305(3) Uani 1 1 d U . .
H15A H 1.2446(15) 0.4703(19) 0.8885(14) 0.046 Uiso 1 1 d . . .
H15B H 1.2276(16) 0.4846(19) 0.9841(14) 0.046 Uiso 1 1 d . . .
H15C H 1.3201(16) 0.5425(18) 0.9640(14) 0.046 Uiso 1 1 d . . .
C16 C 1.00044(10) 0.34983(12) 0.73778(8) 0.0216(3) Uani 1 1 d U . .
C17 C 0.94527(11) 0.27733(15) 0.67498(10) 0.0307(3) Uani 1 1 d U . .
H17 H 0.8976(14) 0.2226(17) 0.6919(12) 0.037 Uiso 1 1 d . . .
C18 C 0.95535(13) 0.27986(17) 0.58873(10) 0.0373(4) Uani 1 1 d U . .
H18 H 0.9159(15) 0.2256(19) 0.5478(14) 0.045 Uiso 1 1 d . . .
C19 C 1.02071(14) 0.35478(15) 0.56381(10) 0.0362(4) Uani 1 1 d U . .
H19 H 1.0277(15) 0.3565(18) 0.5054(14) 0.043 Uiso 1 1 d . . .
C20 C 1.07678(14) 0.42650(14) 0.62500(11) 0.0350(4) Uani 1 1 d U . .
H20 H 1.1252(15) 0.4749(18) 0.6110(13) 0.042 Uiso 1 1 d . . .
C21 C 1.06707(12) 0.42421(13) 0.71155(10) 0.0277(3) Uani 1 1 d U . .
H21 H 1.1081(14) 0.4711(17) 0.7532(12) 0.033 Uiso 1 1 d . . .
C22 C 1.07938(10) 0.24105(11) 0.90010(8) 0.0204(3) Uani 1 1 d U . .
C23 C 1.16889(10) 0.23295(13) 0.87416(9) 0.0254(3) Uani 1 1 d U . .
H23 H 1.1820(13) 0.2820(16) 0.8258(12) 0.031 Uiso 1 1 d . . .
C24 C 1.24025(11) 0.15601(14) 0.91470(11) 0.0309(3) Uani 1 1 d U . .
H24 H 1.3024(15) 0.1493(17) 0.8979(12) 0.037 Uiso 1 1 d . . .
C25 C 1.22354(12) 0.08466(14) 0.98075(10) 0.0311(3) Uani 1 1 d U . .
H25 H 1.2736(15) 0.0316(17) 1.0073(13) 0.037 Uiso 1 1 d . . .
C26 C 1.13471(13) 0.09142(14) 1.00686(10) 0.0336(3) Uani 1 1 d U . .
H26 H 1.1220(14) 0.0422(18) 1.0513(13) 0.040 Uiso 1 1 d . . .
C27 C 1.06329(12) 0.16901(13) 0.96669(10) 0.0299(3) Uani 1 1 d U . .
H27 H 0.9972(14) 0.1714(16) 0.9825(12) 0.036 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 Si1 O1 85.32(5) . 3_767
O1 Si1 N2 121.53(5) . .
O1 Si1 N2 102.40(5) 3_767 .
O1 Si1 N1 92.19(5) . .
O1 Si1 N1 167.60(5) 3_767 .
N2 Si1 N1 68.62(5) . .
O1 Si1 P1 116.27(4) . .
O1 Si1 P1 98.06(4) 3_767 .
N2 Si1 P1 119.60(4) . .
N1 Si1 P1 93.94(4) . .
O1 Si1 C1 107.86(5) . .
O1 Si1 C1 136.39(5) 3_767 .
P1 Si1 C1 111.35(4) . .
N2 Si1 Si1 119.90(4) . 3_767
N1 Si1 Si1 134.38(4) . 3_767
P1 Si1 Si1 113.15(2) . 3_767
C1 Si1 Si1 134.82(4) . 3_767
N1 C1 N2 107.23(11) . .
N1 C1 C2 126.70(12) . .
N2 C1 C2 126.01(12) . .
N1 C1 Si1 57.05(7) . .
N2 C1 Si1 50.36(6) . .
C2 C1 Si1 173.02(9) . .
C22 P1 C16 101.49(6) . .
C22 P1 Si1 105.44(5) . .
C16 P1 Si1 110.64(5) . .
C1 N1 C8 129.68(11) . .
C1 N1 Si1 89.29(8) . .
C8 N1 Si1 139.49(9) . .
Si1 O1 Si1 94.69(5) . 3_767
C1 N2 C12 129.71(11) . .
C1 N2 Si1 94.58(8) . .
C12 N2 Si1 135.63(9) . .
C7 C2 C3 119.54(13) . .
C7 C2 C1 119.63(12) . .
C3 C2 C1 120.79(12) . .
C6 C7 C2 120.49(13) . .
C6 C7 H7 121.9(11) . .
C2 C7 H7 117.6(11) . .
C7 C6 C5 119.86(14) . .
C7 C6 H6 120.1(12) . .
C5 C6 H6 120.0(12) . .
C4 C5 C6 120.00(15) . .
C4 C5 H5 120.7(13) . .
C6 C5 H5 119.3(13) . .
C5 C4 C3 120.30(14) . .
C5 C4 H4 122.0(13) . .
C3 C4 H4 117.7(13) . .
C4 C3 C2 119.82(14) . .
C4 C3 H3 121.0(11) . .
C2 C3 H3 119.1(11) . .
C9' C8 N1 105.1(10) . .
C9' C8 C10' 113.4(11) . .
N1 C8 C10' 109.1(8) . .
C9' C8 C11 123.7(10) . .
N1 C8 C11 114.20(18) . .
C10' C8 C11 90.4(13) . .
C9' C8 C10 91.9(10) . .
N1 C8 C10 110.31(16) . .
C11 C8 C10 109.22(16) . .
C9' C8 C9 18.1(9) . .
N1 C8 C9 107.3(2) . .
C10' C8 C9 126.9(8) . .
C11 C8 C9 108.3(2) . .
C10 C8 C9 107.3(2) . .
C9' C8 C11' 111.8(11) . .
N1 C8 C11' 104.0(8) . .
C10' C8 C11' 112.8(12) . .
C10 C8 C11' 131.1(14) . .
C9 C8 C11' 94.1(12) . .
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' H1A' 109.5 . .
C8 C10' H1B' 109.5 . .
H1A' C10' H1B' 109.5 . .
C8 C10' H1C' 109.5 . .
H1A' C10' H1C' 109.5 . .
H1B' C10' H1C' 109.5 . .
C8 C11' HA1' 109.5 . .
C8 C11' HB1' 109.5 . .
HA1' C11' HB1' 109.5 . .
C8 C11' HC1' 109.5 . .
HA1' C11' HC1' 109.5 . .
HB1' C11' HC1' 109.5 . .
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 107.84(11) . .
N2 C12 C14 108.86(11) . .
C15 C12 C14 109.57(13) . .
N2 C12 C13 113.07(12) . .
C15 C12 C13 107.41(12) . .
C14 C12 C13 110.02(13) . .
C12 C13 H13A 111.1(12) . .
C12 C13 H13B 108.8(12) . .
H13A C13 H13B 106.4(17) . .
C12 C13 H13C 111.8(12) . .
H13A C13 H13C 109.1(17) . .
H13B C13 H13C 109.4(17) . .
C12 C14 H14A 109.3(13) . .
C12 C14 H14B 109.6(13) . .
H14A C14 H14B 107.7(18) . .
C12 C14 H14C 110.2(13) . .
H14A C14 H14C 106.2(18) . .
H14B C14 H14C 113.7(19) . .
C12 C15 H15A 111.0(12) . .
C12 C15 H15B 113.5(13) . .
H15A C15 H15B 106.8(18) . .
C12 C15 H15C 107.9(13) . .
H15A C15 H15C 109.2(17) . .
H15B C15 H15C 108.3(18) . .
C21 C16 C17 117.90(13) . .
C21 C16 P1 126.18(11) . .
C17 C16 P1 115.92(11) . .
C18 C17 C16 121.38(15) . .
C18 C17 H17 118.9(11) . .
C16 C17 H17 119.7(11) . .
C19 C18 C17 119.92(16) . .
C19 C18 H18 122.3(12) . .
C17 C18 H18 117.8(13) . .
C18 C19 C20 119.72(14) . .
C18 C19 H19 120.0(13) . .
C20 C19 H19 120.3(13) . .
C19 C20 C21 120.60(16) . .
C19 C20 H20 121.9(13) . .
C21 C20 H20 117.4(13) . .
C16 C21 C20 120.48(15) . .
C16 C21 H21 119.8(11) . .
C20 C21 H21 119.6(11) . .
C27 C22 C23 118.24(13) . .
C27 C22 P1 117.30(11) . .
C23 C22 P1 124.40(10) . .
C24 C23 C22 120.53(13) . .
C24 C23 H23 119.4(10) . .
C22 C23 H23 120.1(10) . .
C25 C24 C23 120.81(14) . .
C25 C24 H24 117.4(12) . .
C23 C24 H24 121.8(12) . .
C24 C25 C26 119.24(14) . .
C24 C25 H25 119.3(12) . .
C26 C25 H25 121.4(12) . .
C25 C26 C27 120.05(14) . .
C25 C26 H26 120.1(12) . .
C27 C26 H26 119.9(12) . .
C26 C27 C22 121.12(14) . .
C26 C27 H27 120.8(11) . .
C22 C27 H27 118.0(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.6703(10) .
Si1 O1 1.7205(10) 3_767
Si1 N2 1.8248(12) .
Si1 N1 1.9824(12) .
Si1 P1 2.2895(6) .
Si1 C1 2.3621(14) .
Si1 Si1 2.4940(8) 3_767
C1 N1 1.3092(18) .
C1 N2 1.3611(18) .
C1 C2 1.4907(18) .
P1 C22 1.8374(14) .
P1 C16 1.8413(14) .
N1 C8 1.4888(17) .
O1 Si1 1.7205(10) 3_767
N2 C12 1.4950(17) .
C2 C7 1.391(2) .
C2 C3 1.396(2) .
C7 C6 1.386(2) .
C7 H7 0.937(19) .
C6 C5 1.390(2) .
C6 H6 0.94(2) .
C5 C4 1.386(2) .
C5 H5 0.97(2) .
C4 C3 1.390(2) .
C4 H4 0.94(2) .
C3 H3 0.94(2) .
C8 C9' 1.40(2) .
C8 C10' 1.496(18) .
C8 C11 1.529(4) .
C8 C10 1.542(3) .
C8 C9 1.546(5) .
C8 C11' 1.56(2) .
C9' H9A' 0.9800 .
C9' H9B' 0.9800 .
C9' H9C' 0.9800 .
C10' H1A' 0.9800 .
C10' H1B' 0.9800 .
C10' H1C' 0.9800 .
C11' HA1' 0.9800 .
C11' HB1' 0.9800 .
C11' HC1' 0.9800 .
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 C15 1.530(2) .
C12 C14 1.530(2) .
C12 C13 1.536(2) .
C13 H13A 0.99(2) .
C13 H13B 0.98(2) .
C13 H13C 1.00(2) .
C14 H14A 1.00(2) .
C14 H14B 0.98(2) .
C14 H14C 0.98(2) .
C15 H15A 1.03(2) .
C15 H15B 0.93(2) .
C15 H15C 0.98(2) .
C16 C21 1.392(2) .
C16 C17 1.397(2) .
C17 C18 1.389(2) .
C17 H17 1.00(2) .
C18 C19 1.374(3) .
C18 H18 0.98(2) .
C19 C20 1.382(3) .
C19 H19 0.94(2) .
C20 C21 1.393(2) .
C20 H20 0.94(2) .
C21 H21 0.95(2) .
C22 C27 1.393(2) .
C22 C23 1.393(2) .
C23 C24 1.388(2) .
C23 H23 0.995(19) .
C24 C25 1.384(2) .
C24 H24 0.96(2) .
C25 C26 1.384(2) .
C25 H25 0.96(2) .
C26 C27 1.391(2) .
C26 H26 0.95(2) .
C27 H27 1.00(2) .
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
O1 Si1 C1 N1 -65.71(8) . .
O1 Si1 C1 N1 -168.06(8) 3_767 .
N2 Si1 C1 N1 174.47(12) . .
P1 Si1 C1 N1 63.00(8) . .
Si1 Si1 C1 N1 -106.65(8) 3_767 .
O1 Si1 C1 N2 119.82(8) . .
O1 Si1 C1 N2 17.47(10) 3_767 .
N1 Si1 C1 N2 -174.47(12) . .
P1 Si1 C1 N2 -111.47(8) . .
Si1 Si1 C1 N2 78.88(9) 3_767 .
Si1 Si1 C1 C2 17.9(8) 3_767 .
O1 Si1 P1 C22 -113.56(6) . .
O1 Si1 P1 C22 -24.83(6) 3_767 .
N2 Si1 P1 C22 84.43(6) . .
N1 Si1 P1 C22 152.03(6) . .
C1 Si1 P1 C22 122.36(6) . .
Si1 Si1 P1 C22 -65.60(5) 3_767 .
O1 Si1 P1 C16 137.48(6) . .
O1 Si1 P1 C16 -133.79(6) 3_767 .
N2 Si1 P1 C16 -24.53(7) . .
N1 Si1 P1 C16 43.07(6) . .
C1 Si1 P1 C16 13.40(6) . .
Si1 Si1 P1 C16 -174.56(5) 3_767 .
N2 C1 N1 C8 172.32(12) . .
C2 C1 N1 C8 -5.0(2) . .
Si1 C1 N1 C8 167.86(15) . .
N2 C1 N1 Si1 4.46(10) . .
C2 C1 N1 Si1 -172.83(12) . .
O1 Si1 N1 C1 119.76(8) . .
O1 Si1 N1 C1 41.7(2) 3_767 .
N2 Si1 N1 C1 -3.41(7) . .
P1 Si1 N1 C1 -123.72(7) . .
Si1 Si1 N1 C1 108.05(8) 3_767 .
O1 Si1 N1 C8 -45.82(14) . .
O1 Si1 N1 C8 -123.9(2) 3_767 .
N2 Si1 N1 C8 -168.98(14) . .
P1 Si1 N1 C8 70.71(13) . .
C1 Si1 N1 C8 -165.57(18) . .
Si1 Si1 N1 C8 -57.52(15) 3_767 .
O1 Si1 O1 Si1 0.0 3_767 3_767
N2 Si1 O1 Si1 -101.69(6) . 3_767
N1 Si1 O1 Si1 -167.83(5) . 3_767
P1 Si1 O1 Si1 96.68(4) . 3_767
C1 Si1 O1 Si1 -137.46(5) . 3_767
N1 C1 N2 C12 172.33(12) . .
C2 C1 N2 C12 -10.4(2) . .
Si1 C1 N2 C12 177.18(15) . .
N1 C1 N2 Si1 -4.86(11) . .
C2 C1 N2 Si1 172.46(11) . .
O1 Si1 N2 C1 -75.65(9) . .
O1 Si1 N2 C1 -167.76(7) 3_767 .
N1 Si1 N2 C1 3.29(7) . .
P1 Si1 N2 C1 85.39(8) . .
Si1 Si1 N2 C1 -126.60(7) 3_767 .
O1 Si1 N2 C12 107.45(12) . .
O1 Si1 N2 C12 15.34(13) 3_767 .
N1 Si1 N2 C12 -173.61(13) . .
P1 Si1 N2 C12 -91.51(12) . .
C1 Si1 N2 C12 -176.90(17) . .
Si1 Si1 N2 C12 56.49(13) 3_767 .
N1 C1 C2 C7 103.26(17) . .
N2 C1 C2 C7 -73.54(18) . .
N1 C1 C2 C3 -74.38(19) . .
N2 C1 C2 C3 108.82(16) . .
C3 C2 C7 C6 0.7(2) . .
C1 C2 C7 C6 -176.99(14) . .
C2 C7 C6 C5 -0.4(3) . .
C7 C6 C5 C4 -0.2(3) . .
C6 C5 C4 C3 0.5(3) . .
C5 C4 C3 C2 -0.2(3) . .
C7 C2 C3 C4 -0.4(2) . .
C1 C2 C3 C4 177.24(15) . .
C1 N1 C8 C9' -177.4(10) . .
Si1 N1 C8 C9' -16.3(11) . .
C1 N1 C8 C10' 60.7(14) . .
Si1 N1 C8 C10' -138.1(14) . .
C1 N1 C8 C11 -38.7(2) . .
Si1 N1 C8 C11 122.45(17) . .
C1 N1 C8 C10 84.8(2) . .
Si1 N1 C8 C10 -114.1(2) . .
C1 N1 C8 C9 -158.7(2) . .
Si1 N1 C8 C9 2.4(3) . .
C1 N1 C8 C11' -59.8(15) . .
Si1 N1 C8 C11' 101.3(15) . .
C1 N2 C12 C15 -144.01(13) . .
Si1 N2 C12 C15 31.97(17) . .
C1 N2 C12 C14 97.18(16) . .
Si1 N2 C12 C14 -86.83(16) . .
C1 N2 C12 C13 -25.41(19) . .
Si1 N2 C12 C13 150.57(11) . .
C22 P1 C16 C21 -81.70(13) . .
Si1 P1 C16 C21 29.83(14) . .
C22 P1 C16 C17 97.64(12) . .
Si1 P1 C16 C17 -150.83(10) . .
C21 C16 C17 C18 -0.8(2) . .
P1 C16 C17 C18 179.84(13) . .
C16 C17 C18 C19 0.0(3) . .
C17 C18 C19 C20 0.6(3) . .
C18 C19 C20 C21 -0.5(2) . .
C17 C16 C21 C20 0.8(2) . .
P1 C16 C21 C20 -179.83(12) . .
C19 C20 C21 C16 -0.2(2) . .
C16 P1 C22 C27 -150.40(11) . .
Si1 P1 C22 C27 94.17(11) . .
C16 P1 C22 C23 26.61(13) . .
Si1 P1 C22 C23 -88.82(12) . .
C27 C22 C23 C24 -0.8(2) . .
P1 C22 C23 C24 -177.83(12) . .
C22 C23 C24 C25 0.9(2) . .
C23 C24 C25 C26 -0.6(2) . .
C24 C25 C26 C27 0.2(3) . .
C25 C26 C27 C22 -0.1(3) . .
C23 C22 C27 C26 0.4(2) . .
P1 C22 C27 C26 177.63(13) . .
