#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:57:49 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179820 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/16/7011654.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_7011654
loop_
_publ_author_name
'Bowen, Richard J.'
'Fernandes, Manuel A.'
'Hitchcock, Peter B.'
'Lappert, Michael F.'
'Layh, Marcus'
_publ_section_title
;
 Synthesis and crystal structures of novel 1-aza-2-silacyclobut-3-enes
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3253
_journal_paper_doi               10.1039/b202629p
_journal_year                    2002
_chemical_formula_moiety         'C66 H122 Li2 N4 P4 Si8'
_chemical_formula_sum            'C66 H122 Li2 N4 P4 Si8'
_chemical_formula_weight         1334.16
_chemical_name_systematic
;
Bis-{(P,P,P',P'-tetramethylethylenediphosphine)-(1-(2,6-dimethylphenyl)-
2,2-bis(trimethylsilyl)-3-(trimethylsilyl-4-(2,6-dimethylphenyl)amido-1-aza-2-
sila-cyclobut-3-ene-N)-lithium}
;
_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                100.496(3)
_cell_angle_beta                 100.679(3)
_cell_angle_gamma                111.366(3)
_cell_formula_units_Z            1
_cell_length_a                   10.1824(16)
_cell_length_b                   12.756(2)
_cell_length_c                   18.168(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2077.6(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14560
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.243
_exptl_absorpt_correction_T_max  0.9577
_exptl_absorpt_correction_T_min  0.9092
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS: Area-Detector Absorption 
Correction. (1996)  Siemens Industrial Automation, Inc.: 
Madison, WI.. 
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             724
_exptl_crystal_preparation       'grown from hexane at -20 C'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         10016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0763P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1323
_reflns_number_gt                7063
_reflns_number_total             10016
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202629p.txt
_cod_data_source_block           li4rtf_s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/adriana/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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2077.5(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7011654
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
Si1 Si 0.13778(5) 0.72682(4) 0.34840(3) 0.02625(12) Uani 1 1 d . . .
Si4 Si -0.17323(5) 0.52248(4) 0.22331(3) 0.02639(12) Uani 1 1 d . . .
Si2 Si 0.09182(6) 0.77940(5) 0.46935(3) 0.03550(14) Uani 1 1 d . . .
Si3 Si 0.31472(6) 0.64753(5) 0.35886(4) 0.04410(16) Uani 1 1 d . . .
N1 N 0.00102(16) 0.81578(12) 0.18403(8) 0.0282(3) Uani 1 1 d . . .
N2 N 0.16955(16) 0.84357(12) 0.30267(8) 0.0282(3) Uani 1 1 d . . .
C2 C -0.01502(18) 0.66162(14) 0.25870(10) 0.0251(4) Uani 1 1 d . . .
C1 C 0.03971(18) 0.77045(14) 0.24077(10) 0.0245(3) Uani 1 1 d . . .
C11 C 0.2472(2) 0.96566(15) 0.31487(10) 0.0332(4) Uani 1 1 d . . .
C12 C 0.1826(3) 1.04332(17) 0.33448(11) 0.0442(5) Uani 1 1 d . . .
C3 C -0.1099(2) 0.73831(16) 0.11576(11) 0.0359(5) Uani 1 1 d . . .
C8 C -0.0723(3) 0.66906(17) 0.05989(12) 0.0506(6) Uani 1 1 d . . .
C19 C 0.2275(3) 0.93251(19) 0.52355(13) 0.0526(6) Uani 1 1 d . . .
H19A H 0.2098 0.9543 0.5730 0.079 Uiso 1 1 calc R . .
H19B H 0.2170 0.9853 0.4938 0.079 Uiso 1 1 calc R . .
H19C H 0.3252 0.9363 0.5317 0.079 Uiso 1 1 calc R . .
C16 C 0.3915(2) 1.00836(18) 0.30711(11) 0.0437(5) Uani 1 1 d . . .
C26 C -0.1650(3) 0.44171(18) 0.29922(13) 0.0500(6) Uani 1 1 d . . .
H26A H -0.0791 0.4257 0.3046 0.075 Uiso 1 1 calc R . .
H26B H -0.2508 0.3694 0.2838 0.075 Uiso 1 1 calc R . .
H26C H -0.1608 0.4887 0.3481 0.075 Uiso 1 1 calc R . .
C27 C -0.1850(3) 0.42223(17) 0.13041(12) 0.0510(6) Uani 1 1 d . . .
H27A H -0.2061 0.4535 0.0877 0.076 Uiso 1 1 calc R . .
H27B H -0.2616 0.3463 0.1221 0.076 Uiso 1 1 calc R . .
H27C H -0.0932 0.4156 0.1340 0.076 Uiso 1 1 calc R . .
C4 C -0.2491(2) 0.7366(2) 0.09960(15) 0.0544(6) Uani 1 1 d . . .
C18 C 0.4599(2) 0.9261(2) 0.28619(14) 0.0553(6) Uani 1 1 d . . .
H18A H 0.5480 0.9663 0.2726 0.083 Uiso 1 1 calc R . .
H18B H 0.3926 0.8618 0.2427 0.083 Uiso 1 1 calc R . .
H18C H 0.4833 0.8973 0.3298 0.083 Uiso 1 1 calc R . .
C14 C 0.4050(4) 1.2054(2) 0.33839(15) 0.0732(9) Uani 1 1 d . . .
H14 H 0.4571 1.2852 0.3460 0.088 Uiso 1 1 calc R . .
C17 C 0.0321(3) 1.0003(2) 0.34664(14) 0.0562(6) Uani 1 1 d . . .
H17A H -0.0360 0.9393 0.3015 0.084 Uiso 1 1 calc R . .
H17B H 0.0023 1.0638 0.3547 0.084 Uiso 1 1 calc R . .
H17C H 0.0337 0.9703 0.3914 0.084 Uiso 1 1 calc R . .
C25 C -0.3547(2) 0.5312(2) 0.21070(19) 0.0663(8) Uani 1 1 d . . .
H25A H -0.3550 0.5798 0.2577 0.099 Uiso 1 1 calc R . .
H25B H -0.4307 0.4542 0.1996 0.099 Uiso 1 1 calc R . .
H25C H -0.3718 0.5643 0.1683 0.099 Uiso 1 1 calc R . .
C15 C 0.4677(3) 1.1292(2) 0.32023(14) 0.0631(8) Uani 1 1 d . . .
H15 H 0.5636 1.1585 0.3165 0.076 Uiso 1 1 calc R . .
C23 C 0.2428(3) 0.5075(2) 0.38816(19) 0.0721(8) Uani 1 1 d . . .
H23A H 0.3147 0.4753 0.3920 0.108 Uiso 1 1 calc R . .
H23B H 0.1541 0.4525 0.3497 0.108 Uiso 1 1 calc R . .
H23C H 0.2229 0.5234 0.4377 0.108 Uiso 1 1 calc R . .
C20 C 0.1172(3) 0.6840(2) 0.53270(14) 0.0671(8) Uani 1 1 d . . .
H20A H 0.2141 0.6864 0.5395 0.101 Uiso 1 1 calc R . .
H20B H 0.0461 0.6050 0.5086 0.101 Uiso 1 1 calc R . .
H20C H 0.1043 0.7116 0.5825 0.101 Uiso 1 1 calc R . .
C7 C -0.1762(4) 0.6015(2) -0.01027(14) 0.0786(10) Uani 1 1 d . . .
H7 H -0.1515 0.5568 -0.0472 0.094 Uiso 1 1 calc R . .
C21 C -0.1016(2) 0.7658(2) 0.45425(14) 0.0584(6) Uani 1 1 d . . .
H21A H -0.1680 0.6888 0.4223 0.088 Uiso 1 1 calc R . .
H21B H -0.1134 0.8229 0.4289 0.088 Uiso 1 1 calc R . .
H21C H -0.1224 0.7788 0.5037 0.088 Uiso 1 1 calc R . .
C10 C 0.0758(3) 0.6680(2) 0.07735(15) 0.0609(7) Uani 1 1 d . . .
H10A H 0.0808 0.6205 0.1122 0.091 Uiso 1 1 calc R . .
H10B H 0.1487 0.7465 0.1012 0.091 Uiso 1 1 calc R . .
H10C H 0.0934 0.6364 0.0299 0.091 Uiso 1 1 calc R . .
C6 C -0.3125(5) 0.5989(3) -0.02628(18) 0.0948(14) Uani 1 1 d . . .
H6 H -0.3803 0.5521 -0.0736 0.114 Uiso 1 1 calc R . .
C13 C 0.2648(3) 1.1629(2) 0.34523(13) 0.0641(8) Uani 1 1 d . . .
H13 H 0.2227 1.2151 0.3574 0.077 Uiso 1 1 calc R . .
C24 C 0.4920(3) 0.7445(3) 0.43539(19) 0.0776(9) Uani 1 1 d . . .
H24A H 0.4726 0.7623 0.4848 0.116 Uiso 1 1 calc R . .
H24B H 0.5378 0.8158 0.4217 0.116 Uiso 1 1 calc R . .
H24C H 0.5562 0.7050 0.4387 0.116 Uiso 1 1 calc R . .
C5 C -0.3519(3) 0.6654(3) 0.0272(2) 0.0810(11) Uani 1 1 d . . .
H5 H -0.4458 0.6635 0.0156 0.097 Uiso 1 1 calc R . .
C9 C -0.2903(3) 0.8066(2) 0.1590(2) 0.0750(9) Uani 1 1 d . . .
H9A H -0.2744 0.7851 0.2067 0.113 Uiso 1 1 calc R . .
H9B H -0.3920 0.7912 0.1405 0.113 Uiso 1 1 calc R . .
H9C H -0.2312 0.8883 0.1679 0.113 Uiso 1 1 calc R . .
Li1 Li 0.1097(4) 0.9736(3) 0.17921(19) 0.0345(7) Uani 1 1 d . . .
C22 C 0.3469(3) 0.6095(2) 0.26106(18) 0.0728(8) Uani 1 1 d . . .
H22A H 0.3936 0.5563 0.2606 0.109 Uiso 1 1 calc R . .
H22B H 0.4088 0.6795 0.2508 0.109 Uiso 1 1 calc R . .
H22C H 0.2547 0.5733 0.2216 0.109 Uiso 1 1 calc R . .
P1 P 0.29069(6) 1.01812(5) 0.09018(3) 0.04474(15) Uani 1 1 d . . .
P2 P 0.00359(7) 1.12954(5) 0.15519(3) 0.04331(15) Uani 1 1 d . . .
C28 C 0.2082(2) 1.00347(18) -0.01232(12) 0.0398(5) Uani 1 1 d . . .
H28A H 0.1698 1.0624 -0.0146 0.048 Uiso 1 1 calc R . .
H28B H 0.2839 1.0181 -0.0394 0.048 Uiso 1 1 calc R . .
C29 C -0.0850(2) 1.11701(18) 0.05408(12) 0.0420(5) Uani 1 1 d . . .
H29A H -0.1246 1.1756 0.0541 0.050 Uiso 1 1 calc R . .
H29B H -0.0117 1.1332 0.0255 0.050 Uiso 1 1 calc R . .
C33 C -0.1317(3) 1.1483(2) 0.20420(15) 0.0686(8) Uani 1 1 d . . .
H33A H -0.0912 1.1686 0.2595 0.103 Uiso 1 1 calc R . .
H33B H -0.2185 1.0765 0.1881 0.103 Uiso 1 1 calc R . .
H33C H -0.1562 1.2095 0.1906 0.103 Uiso 1 1 calc R . .
C30 C 0.3998(3) 0.9322(3) 0.07914(17) 0.0724(9) Uani 1 1 d . . .
H30A H 0.4670 0.9633 0.0499 0.109 Uiso 1 1 calc R . .
H30B H 0.3358 0.8522 0.0521 0.109 Uiso 1 1 calc R . .
H30C H 0.4537 0.9361 0.1296 0.109 Uiso 1 1 calc R . .
C32 C 0.1439(3) 1.2798(2) 0.18321(16) 0.0725(9) Uani 1 1 d . . .
H32A H 0.0980 1.3320 0.1753 0.109 Uiso 1 1 calc R . .
H32B H 0.2112 1.2852 0.1519 0.109 Uiso 1 1 calc R . .
H32C H 0.1961 1.3008 0.2371 0.109 Uiso 1 1 calc R . .
C31 C 0.4351(3) 1.1662(2) 0.11751(16) 0.0783(10) Uani 1 1 d . . .
H31A H 0.4973 1.1822 0.1686 0.117 Uiso 1 1 calc R . .
H31B H 0.3916 1.2215 0.1176 0.117 Uiso 1 1 calc R . .
H31C H 0.4923 1.1725 0.0807 0.117 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'
Li Li -0.0003 0.0001 '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'
P P 0.1023 0.0942 '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'
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
N2 Si1 C2 77.25(7) . . ?
N2 Si1 Si2 110.79(6) . . ?
C2 Si1 Si2 119.62(6) . . ?
N2 Si1 Si3 116.35(6) . . ?
C2 Si1 Si3 116.96(6) . . ?
Si2 Si1 Si3 111.61(3) . . ?
C2 Si4 C25 115.37(9) . . ?
C2 Si4 C26 107.21(9) . . ?
C25 Si4 C26 104.56(12) . . ?
C2 Si4 C27 116.31(9) . . ?
C25 Si4 C27 106.47(13) . . ?
C26 Si4 C27 105.91(10) . . ?
C20 Si2 C21 107.61(13) . . ?
C20 Si2 C19 106.38(11) . . ?
C21 Si2 C19 111.37(11) . . ?
C20 Si2 Si1 112.12(10) . . ?
C21 Si2 Si1 110.30(8) . . ?
C19 Si2 Si1 109.02(8) . . ?
C22 Si3 C24 111.17(15) . . ?
C22 Si3 C23 107.14(14) . . ?
C24 Si3 C23 105.46(13) . . ?
C22 Si3 Si1 109.14(9) . . ?
C24 Si3 Si1 113.96(10) . . ?
C23 Si3 Si1 109.69(9) . . ?
C1 N1 C3 117.91(14) . . ?
C1 N1 Li1 124.46(15) . . ?
C3 N1 Li1 116.53(14) . . ?
C11 N2 C1 124.58(14) . . ?
C11 N2 Si1 144.22(12) . . ?
C1 N2 Si1 89.39(10) . . ?
C1 C2 Si4 139.44(13) . . ?
C1 C2 Si1 87.85(11) . . ?
Si4 C2 Si1 132.23(9) . . ?
N1 C1 C2 136.67(16) . . ?
N1 C1 N2 117.86(14) . . ?
C2 C1 N2 105.47(14) . . ?
C12 C11 C16 120.29(18) . . ?
C12 C11 N2 120.87(18) . . ?
C16 C11 N2 118.84(18) . . ?
C13 C12 C11 118.1(2) . . ?
C13 C12 C17 120.8(2) . . ?
C11 C12 C17 121.09(18) . . ?
C4 C3 N1 121.4(2) . . ?
C4 C3 C8 119.7(2) . . ?
N1 C3 C8 118.66(19) . . ?
C7 C8 C3 119.1(3) . . ?
C7 C8 C10 120.7(3) . . ?
C3 C8 C10 120.20(19) . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C16 C11 118.3(2) . . ?
C15 C16 C18 121.4(2) . . ?
C11 C16 C18 120.31(18) . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si4 C27 H27A 109.5 . . ?
Si4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 C9 119.9(2) . . ?
C5 C4 C9 121.0(3) . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C14 C15 119.4(2) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C25 H25A 109.5 . . ?
Si4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C14 C15 C16 121.8(3) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C6 C7 C8 121.5(3) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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 . . ?
C7 C6 C5 120.5(3) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C14 C13 C12 122.1(3) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 Li1 P1 121.84(16) . . ?
N1 Li1 P2 127.09(16) . . ?
P1 Li1 P2 96.63(10) . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C31 P1 C30 100.19(15) . . ?
C31 P1 C28 100.14(11) . . ?
C30 P1 C28 100.94(11) . . ?
C31 P1 Li1 116.83(13) . . ?
C30 P1 Li1 118.98(10) . . ?
C28 P1 Li1 116.58(10) . . ?
C32 P2 C33 101.32(14) . . ?
C32 P2 C29 100.08(10) . . ?
C33 P2 C29 101.04(12) . . ?
C32 P2 Li1 113.69(12) . . ?
C33 P2 Li1 120.01(11) . . ?
C29 P2 Li1 117.63(10) . . ?
C29 C28 P1 113.05(13) 2_575 . ?
C29 C28 H28A 109.0 2_575 . ?
P1 C28 H28A 109.0 . . ?
C29 C28 H28B 109.0 2_575 . ?
P1 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C28 C29 P2 113.12(14) 2_575 . ?
C28 C29 H29A 109.0 2_575 . ?
P2 C29 H29A 109.0 . . ?
C28 C29 H29B 109.0 2_575 . ?
P2 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
P2 C33 H33A 109.5 . . ?
P2 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
P2 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P1 C30 H30A 109.5 . . ?
P1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
P1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C32 H32A 109.5 . . ?
P2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
P2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
P1 C31 H31A 109.5 . . ?
P1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
P1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
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
Si1 N2 1.7923(15) . ?
Si1 C2 1.8417(17) . ?
Si1 Si2 2.3600(8) . ?
Si1 Si3 2.3613(8) . ?
Si4 C2 1.8098(17) . ?
Si4 C25 1.866(2) . ?
Si4 C26 1.873(2) . ?
Si4 C27 1.878(2) . ?
Si2 C20 1.871(2) . ?
Si2 C21 1.876(2) . ?
Si2 C19 1.877(2) . ?
Si3 C22 1.875(3) . ?
Si3 C24 1.881(3) . ?
Si3 C23 1.883(2) . ?
N1 C1 1.336(2) . ?
N1 C3 1.418(2) . ?
N1 Li1 1.939(3) . ?
N2 C11 1.418(2) . ?
N2 C1 1.432(2) . ?
C2 C1 1.419(2) . ?
C11 C12 1.405(3) . ?
C11 C16 1.413(3) . ?
C12 C13 1.403(3) . ?
C12 C17 1.502(3) . ?
C3 C4 1.385(3) . ?
C3 C8 1.422(3) . ?
C8 C7 1.386(3) . ?
C8 C10 1.487(3) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C16 C15 1.400(3) . ?
C16 C18 1.488(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C4 C5 1.419(4) . ?
C4 C9 1.491(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C14 C13 1.368(4) . ?
C14 C15 1.369(4) . ?
C14 H14 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C15 H15 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C7 C6 1.352(5) . ?
C7 H7 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C6 C5 1.384(5) . ?
C6 H6 0.9300 . ?
C13 H13 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C5 H5 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
Li1 P1 2.648(3) . ?
Li1 P2 2.651(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
P1 C31 1.827(2) . ?
P1 C30 1.835(3) . ?
P1 C28 1.840(2) . ?
P2 C32 1.831(2) . ?
P2 C33 1.834(3) . ?
P2 C29 1.841(2) . ?
C28 C29 1.526(3) 2_575 ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C28 1.526(3) 2_575 ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
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
N2 Si1 Si2 C20 -161.80(11) . . . . ?
C2 Si1 Si2 C20 111.40(12) . . . . ?
Si3 Si1 Si2 C20 -30.42(10) . . . . ?
N2 Si1 Si2 C21 78.30(11) . . . . ?
C2 Si1 Si2 C21 -8.50(11) . . . . ?
Si3 Si1 Si2 C21 -150.32(9) . . . . ?
N2 Si1 Si2 C19 -44.27(10) . . . . ?
C2 Si1 Si2 C19 -131.07(10) . . . . ?
Si3 Si1 Si2 C19 87.11(9) . . . . ?
N2 Si1 Si3 C22 -50.89(11) . . . . ?
C2 Si1 Si3 C22 37.70(11) . . . . ?
Si2 Si1 Si3 C22 -179.37(9) . . . . ?
N2 Si1 Si3 C24 74.05(13) . . . . ?
C2 Si1 Si3 C24 162.65(13) . . . . ?
Si2 Si1 Si3 C24 -54.43(12) . . . . ?
N2 Si1 Si3 C23 -167.99(12) . . . . ?
C2 Si1 Si3 C23 -79.39(13) . . . . ?
Si2 Si1 Si3 C23 63.53(11) . . . . ?
C2 Si1 N2 C11 164.3(2) . . . . ?
Si2 Si1 N2 C11 47.1(2) . . . . ?
Si3 Si1 N2 C11 -81.7(2) . . . . ?
C2 Si1 N2 C1 1.33(10) . . . . ?
Si2 Si1 N2 C1 -115.80(9) . . . . ?
Si3 Si1 N2 C1 115.32(9) . . . . ?
C25 Si4 C2 C1 -52.3(2) . . . . ?
C26 Si4 C2 C1 -168.3(2) . . . . ?
C27 Si4 C2 C1 73.4(2) . . . . ?
C25 Si4 C2 Si1 116.99(16) . . . . ?
C26 Si4 C2 Si1 1.00(17) . . . . ?
C27 Si4 C2 Si1 -117.25(14) . . . . ?
N2 Si1 C2 C1 -1.34(10) . . . . ?
Si2 Si1 C2 C1 105.51(10) . . . . ?
Si3 Si1 C2 C1 -114.63(10) . . . . ?
N2 Si1 C2 Si4 -174.42(15) . . . . ?
Si2 Si1 C2 Si4 -67.57(14) . . . . ?
Si3 Si1 C2 Si4 72.28(14) . . . . ?
C3 N1 C1 C2 -11.5(3) . . . . ?
Li1 N1 C1 C2 -179.1(2) . . . . ?
C3 N1 C1 N2 168.19(16) . . . . ?
Li1 N1 C1 N2 0.6(3) . . . . ?
Si4 C2 C1 N1 -6.5(4) . . . . ?
Si1 C2 C1 N1 -178.6(2) . . . . ?
Si4 C2 C1 N2 173.82(16) . . . . ?
Si1 C2 C1 N2 1.70(13) . . . . ?
C11 N2 C1 N1 10.5(3) . . . . ?
Si1 N2 C1 N1 178.47(14) . . . . ?
C11 N2 C1 C2 -169.73(16) . . . . ?
Si1 N2 C1 C2 -1.75(13) . . . . ?
C1 N2 C11 C12 65.1(2) . . . . ?
Si1 N2 C11 C12 -94.0(3) . . . . ?
C1 N2 C11 C16 -115.0(2) . . . . ?
Si1 N2 C11 C16 85.9(3) . . . . ?
C16 C11 C12 C13 0.6(3) . . . . ?
N2 C11 C12 C13 -179.56(17) . . . . ?
C16 C11 C12 C17 -177.13(18) . . . . ?
N2 C11 C12 C17 2.8(3) . . . . ?
C1 N1 C3 C4 107.9(2) . . . . ?
Li1 N1 C3 C4 -83.5(2) . . . . ?
C1 N1 C3 C8 -77.9(2) . . . . ?
Li1 N1 C3 C8 90.7(2) . . . . ?
C4 C3 C8 C7 0.4(3) . . . . ?
N1 C3 C8 C7 -173.92(18) . . . . ?
C4 C3 C8 C10 -178.58(19) . . . . ?
N1 C3 C8 C10 7.1(3) . . . . ?
C12 C11 C16 C15 0.7(3) . . . . ?
N2 C11 C16 C15 -179.23(17) . . . . ?
C12 C11 C16 C18 -179.88(18) . . . . ?
N2 C11 C16 C18 0.2(3) . . . . ?
N1 C3 C4 C5 174.15(17) . . . . ?
C8 C3 C4 C5 0.0(3) . . . . ?
N1 C3 C4 C9 -7.5(3) . . . . ?
C8 C3 C4 C9 178.28(19) . . . . ?
C13 C14 C15 C16 1.1(4) . . . . ?
C11 C16 C15 C14 -1.5(3) . . . . ?
C18 C16 C15 C14 179.0(2) . . . . ?
C3 C8 C7 C6 -0.8(3) . . . . ?
C10 C8 C7 C6 178.2(2) . . . . ?
C8 C7 C6 C5 0.7(4) . . . . ?
C15 C14 C13 C12 0.2(4) . . . . ?
C11 C12 C13 C14 -1.0(3) . . . . ?
C17 C12 C13 C14 176.7(2) . . . . ?
C7 C6 C5 C4 -0.3(4) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C9 C4 C5 C6 -178.3(2) . . . . ?
C1 N1 Li1 P1 99.7(2) . . . . ?
C3 N1 Li1 P1 -68.0(2) . . . . ?
C1 N1 Li1 P2 -130.49(18) . . . . ?
C3 N1 Li1 P2 61.8(2) . . . . ?
N1 Li1 P1 C31 -156.93(17) . . . . ?
P2 Li1 P1 C31 61.17(15) . . . . ?
N1 Li1 P1 C30 -36.5(2) . . . . ?
P2 Li1 P1 C30 -178.39(12) . . . . ?
N1 Li1 P1 C28 84.80(19) . . . . ?
P2 Li1 P1 C28 -57.09(13) . . . . ?
N1 Li1 P2 C32 162.64(19) . . . . ?
P1 Li1 P2 C32 -58.45(15) . . . . ?
N1 Li1 P2 C33 42.6(2) . . . . ?
P1 Li1 P2 C33 -178.50(12) . . . . ?
N1 Li1 P2 C29 -80.9(2) . . . . ?
P1 Li1 P2 C29 58.00(13) . . . . ?
C31 P1 C28 C29 177.11(18) . . . 2_575 ?
C30 P1 C28 C29 74.55(18) . . . 2_575 ?
Li1 P1 C28 C29 -55.87(19) . . . 2_575 ?
C32 P2 C29 C28 178.35(18) . . . 2_575 ?
C33 P2 C29 C28 -77.90(18) . . . 2_575 ?
Li1 P2 C29 C28 54.73(19) . . . 2_575 ?
