#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:24:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178811 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/65/4106592.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_4106592
loop_
_publ_author_name
'Katsuhiko Takeuchi'
'Masaaki Ichinohe'
'Akira Sekiguchi'
_publ_section_title
;
 Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet
 Biradical Character from a Disilyne
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12478
_journal_page_last               12481
_journal_paper_doi               10.1021/ja2059846
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C54 H116 N2 O Si12'
_chemical_formula_weight         1146.57
_chemical_name_systematic
; 
 2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}
-1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane-2,4-diyl 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.3760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.068(3)
_cell_length_b                   17.4569(17)
_cell_length_c                   11.9688(11)
_cell_measurement_reflns_used    9794
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.18
_cell_volume                     6897.2(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0154
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38455
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    0.260
_exptl_absorpt_correction_T_max  0.9513
_exptl_absorpt_correction_T_min  0.8831
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_description       cubic
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.828
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         7887
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0631P)²+11.0753P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                7057
_reflns_number_total             7887
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja2059846_si_001.cif
_cod_data_source_block           si2n2thf_0m
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_database_code               4106592
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Si1 Si 0.212430(12) 0.26419(2) 0.52520(3) 0.01747(10) Uani 1 1 d .
Si2 Si 0.149117(12) 0.20854(2) 0.43758(4) 0.01820(10) Uani 1 1 d .
Si3 Si 0.119497(15) 0.17415(3) 0.69266(4) 0.03215(13) Uani 1 1 d .
Si4 Si 0.064071(14) 0.12143(3) 0.48648(4) 0.02765(12) Uani 1 1 d .
Si5 Si 0.116338(16) 0.26747(3) 0.17564(4) 0.03372(14) Uani 1 1 d .
Si6 Si 0.104687(14) 0.36997(3) 0.38547(4) 0.02747(12) Uani 1 1 d .
N1 N 0.25311(4) 0.20470(7) 0.57233(11) 0.0187(3) Uani 1 1 d .
C1 C 0.10707(5) 0.18827(9) 0.53701(13) 0.0212(3) Uani 1 1 d .
H1 H 0.0928 0.2388 0.5366 0.025 Uiso 1 1 calc R
C2 C 0.14455(6) 0.26068(13) 0.75741(16) 0.0381(4) Uani 1 1 d .
H2A H 0.1280 0.3061 0.7391 0.057 Uiso 1 1 calc R
H2B H 0.1714 0.2671 0.7282 0.057 Uiso 1 1 calc R
H2C H 0.1473 0.2543 0.8388 0.057 Uiso 1 1 calc R
C3 C 0.15099(7) 0.08780(14) 0.7283(2) 0.0500(6) Uani 1 1 d .
H3A H 0.1379 0.0423 0.6946 0.075 Uiso 1 1 calc R
H3B H 0.1537 0.0817 0.8098 0.075 Uiso 1 1 calc R
H3C H 0.1779 0.0941 0.6992 0.075 Uiso 1 1 calc R
C4 C 0.07228(8) 0.1632(2) 0.7714(2) 0.0647(8) Uani 1 1 d .
H4A H 0.0545 0.2073 0.7560 0.097 Uiso 1 1 calc R
H4B H 0.0796 0.1605 0.8519 0.097 Uiso 1 1 calc R
H4C H 0.0582 0.1162 0.7474 0.097 Uiso 1 1 calc R
C5 C 0.06869(7) 0.02094(13) 0.5409(3) 0.0616(8) Uani 1 1 d .
H5A H 0.0945 -0.0010 0.5203 0.092 Uiso 1 1 calc R
H5B H 0.0463 -0.0100 0.5082 0.092 Uiso 1 1 calc R
H5C H 0.0677 0.0213 0.6226 0.092 Uiso 1 1 calc R
C6 C 0.01445(6) 0.16014(13) 0.5294(2) 0.0419(5) Uani 1 1 d .
H6A H 0.0156 0.1672 0.6107 0.063 Uiso 1 1 calc R
H6B H -0.0072 0.1240 0.5074 0.063 Uiso 1 1 calc R
H6C H 0.0090 0.2095 0.4925 0.063 Uiso 1 1 calc R
C7 C 0.05771(8) 0.1102(2) 0.3316(2) 0.0631(8) Uani 1 1 d .
H7A H 0.0828 0.0900 0.3034 0.095 Uiso 1 1 calc R
H7B H 0.0515 0.1600 0.2972 0.095 Uiso 1 1 calc R
H7C H 0.0355 0.0745 0.3130 0.095 Uiso 1 1 calc R
C8 C 0.13363(5) 0.28558(10) 0.32920(13) 0.0223(3) Uani 1 1 d .
H8 H 0.1605 0.3102 0.3195 0.027 Uiso 1 1 calc R
C9 C 0.12338(8) 0.16977(15) 0.11411(18) 0.0503(6) Uani 1 1 d .
H9A H 0.1082 0.1320 0.1556 0.075 Uiso 1 1 calc R
H9B H 0.1522 0.1565 0.1193 0.075 Uiso 1 1 calc R
H9C H 0.1134 0.1698 0.0354 0.075 Uiso 1 1 calc R
C10 C 0.06143(7) 0.29041(18) 0.1395(2) 0.0567(7) Uani 1 1 d .
H10A H 0.0443 0.2577 0.1836 0.085 Uiso 1 1 calc R
H10B H 0.0552 0.2811 0.0596 0.085 Uiso 1 1 calc R
H10C H 0.0563 0.3443 0.1566 0.085 Uiso 1 1 calc R
C11 C 0.14681(8) 0.33183(17) 0.08784(18) 0.0532(6) Uani 1 1 d .
H11A H 0.1447 0.3847 0.1143 0.080 Uiso 1 1 calc R
H11B H 0.1364 0.3288 0.0096 0.080 Uiso 1 1 calc R
H11C H 0.1752 0.3157 0.0937 0.080 Uiso 1 1 calc R
C12 C 0.05001(6) 0.34798(13) 0.4068(2) 0.0415(5) Uani 1 1 d .
H12A H 0.0368 0.3295 0.3364 0.062 Uiso 1 1 calc R
H12B H 0.0364 0.3945 0.4306 0.062 Uiso 1 1 calc R
H12C H 0.0484 0.3084 0.4645 0.062 Uiso 1 1 calc R
C13 C 0.10596(7) 0.45445(13) 0.2888(2) 0.0456(5) Uani 1 1 d .
H13A H 0.0940 0.4401 0.2148 0.068 Uiso 1 1 calc R
H13B H 0.1341 0.4707 0.2820 0.068 Uiso 1 1 calc R
H13C H 0.0904 0.4967 0.3189 0.068 Uiso 1 1 calc R
C14 C 0.12791(6) 0.40505(12) 0.52284(18) 0.0377(4) Uani 1 1 d .
H14A H 0.1282 0.3634 0.5778 0.056 Uiso 1 1 calc R
H14B H 0.1119 0.4479 0.5495 0.056 Uiso 1 1 calc R
H14C H 0.1557 0.4222 0.5131 0.056 Uiso 1 1 calc R
C15 C 0.16707(5) 0.11754(10) 0.36962(16) 0.0281(4) Uani 1 1 d .
H15 H 0.1444 0.0978 0.3186 0.034 Uiso 1 1 calc R
C16 C 0.17851(6) 0.05493(11) 0.4548(2) 0.0388(5) Uani 1 1 d .
H16A H 0.1554 0.0444 0.5001 0.058 Uiso 1 1 calc R
H16B H 0.2016 0.0720 0.5036 0.058 Uiso 1 1 calc R
H16C H 0.1859 0.0082 0.4154 0.058 Uiso 1 1 calc R
C17 C 0.20335(6) 0.13391(13) 0.29852(19) 0.0391(5) Uani 1 1 d .
H17A H 0.1961 0.1741 0.2438 0.059 Uiso 1 1 calc R
H17B H 0.2107 0.0871 0.2592 0.059 Uiso 1 1 calc R
H17C H 0.2265 0.1509 0.3473 0.059 Uiso 1 1 calc R
C18 C 0.25791(4) 0.15234(9) 0.66227(13) 0.0196(3) Uani 1 1 d .
C19 C 0.27451(5) 0.07985(9) 0.64542(14) 0.0222(3) Uani 1 1 d .
H19 H 0.2828 0.0664 0.5733 0.027 Uiso 1 1 calc R
C20 C 0.27911(5) 0.02700(10) 0.73231(15) 0.0260(3) Uani 1 1 d .
C21 C 0.26615(5) 0.04721(11) 0.83693(15) 0.0290(4) Uani 1 1 d .
H21 H 0.2688 0.0113 0.8965 0.035 Uiso 1 1 calc R
C22 C 0.24943(5) 0.11884(11) 0.85617(14) 0.0278(4) Uani 1 1 d .
C23 C 0.24587(5) 0.17162(10) 0.76850(14) 0.0237(3) Uani 1 1 d .
H23 H 0.2351 0.2211 0.7813 0.028 Uiso 1 1 calc R
C24 C 0.29705(6) -0.05122(10) 0.71289(18) 0.0336(4) Uani 1 1 d .
H24A H 0.3044 -0.0553 0.6350 0.050 Uiso 1 1 calc R
H24B H 0.2771 -0.0908 0.7281 0.050 Uiso 1 1 calc R
H24C H 0.3213 -0.0583 0.7630 0.050 Uiso 1 1 calc R
C25 C 0.23583(7) 0.14048(13) 0.97041(16) 0.0403(5) Uani 1 1 d .
H25A H 0.2249 0.1927 0.9679 0.060 Uiso 1 1 calc R
H25B H 0.2590 0.1380 1.0253 0.060 Uiso 1 1 calc R
H25C H 0.2148 0.1048 0.9920 0.060 Uiso 1 1 calc R
O1 O 1.0000 0.5042(3) 0.2500 0.1178(14) Uani 1 2 d S
C26 C 1.0037(2) 0.5518(3) 0.1578(4) 0.134(2) Uani 1 1 d .
H26A H 1.0296 0.5416 0.1233 0.161 Uiso 1 1 calc R
H26B H 0.9813 0.5418 0.1011 0.161 Uiso 1 1 calc R
C27 C 1.0024(6) 0.6255(3) 0.1924(7) 0.444(13) Uani 1 1 d .
H27A H 0.9795 0.6526 0.1527 0.533 Uiso 1 1 calc R
H27B H 1.0279 0.6521 0.1760 0.533 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'
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'
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 Si1 N1 83.27(6) 7_556 .
N1 Si1 Si2 113.72(5) 7_556 .
N1 Si1 Si2 120.82(5) . .
N1 Si1 Si1 41.65(4) 7_556 7_556
N1 Si1 Si1 41.62(4) . 7_556
Si2 Si1 Si1 127.73(3) . 7_556
C15 Si2 C1 111.64(8) . .
C15 Si2 C8 112.04(8) . .
C1 Si2 C8 112.04(7) . .
C15 Si2 Si1 103.38(6) . .
C1 Si2 Si1 115.76(5) . .
C8 Si2 Si1 101.32(5) . .
C3 Si3 C2 109.27(10) . .
C3 Si3 C4 105.79(14) . .
C2 Si3 C4 103.59(12) . .
C3 Si3 C1 114.47(10) . .
C2 Si3 C1 111.51(8) . .
C4 Si3 C1 111.51(10) . .
C7 Si4 C6 105.15(12) . .
C7 Si4 C5 104.40(15) . .
C6 Si4 C5 107.28(12) . .
C7 Si4 C1 114.70(10) . .
C6 Si4 C1 109.91(9) . .
C5 Si4 C1 114.70(9) . .
C11 Si5 C9 103.98(12) . .
C11 Si5 C10 106.67(13) . .
C9 Si5 C10 104.07(12) . .
C11 Si5 C8 107.38(9) . .
C9 Si5 C8 119.24(10) . .
C10 Si5 C8 114.43(10) . .
C14 Si6 C13 105.14(11) . .
C14 Si6 C12 107.15(11) . .
C13 Si6 C12 107.51(10) . .
C14 Si6 C8 112.01(8) . .
C13 Si6 C8 111.11(10) . .
C12 Si6 C8 113.46(9) . .
C18 N1 Si1 130.90(11) . 7_556
C18 N1 Si1 132.28(11) . .
Si1 N1 Si1 96.73(6) 7_556 .
Si3 C1 Si4 110.20(8) . .
Si3 C1 Si2 120.68(8) . .
Si4 C1 Si2 118.05(9) . .
Si3 C1 H1 101.2 . .
Si4 C1 H1 101.2 . .
Si2 C1 H1 101.2 . .
Si3 C2 H2A 109.5 . .
Si3 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si3 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si3 C3 H3A 109.5 . .
Si3 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si3 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si3 C4 H4A 109.5 . .
Si3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si4 C5 H5A 109.5 . .
Si4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si4 C6 H6A 109.5 . .
Si4 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si4 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si4 C7 H7A 109.5 . .
Si4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si6 C8 Si2 115.07(8) . .
Si6 C8 Si5 109.82(8) . .
Si2 C8 Si5 125.82(9) . .
Si6 C8 H8 100.2 . .
Si2 C8 H8 100.2 . .
Si5 C8 H8 100.2 . .
Si5 C9 H9A 109.5 . .
Si5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si5 C10 H10A 109.5 . .
Si5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si5 C11 H11A 109.5 . .
Si5 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si5 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si6 C12 H12A 109.5 . .
Si6 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si6 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si6 C13 H13A 109.5 . .
Si6 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si6 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si6 C14 H14A 109.5 . .
Si6 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si6 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C17 109.37(16) . .
C16 C15 Si2 112.63(13) . .
C17 C15 Si2 110.85(13) . .
C16 C15 H15 107.9 . .
C17 C15 H15 107.9 . .
Si2 C15 H15 107.9 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C23 C18 C19 119.01(15) . .
C23 C18 N1 120.82(15) . .
C19 C18 N1 120.17(14) . .
C20 C19 C18 121.22(16) . .
C20 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
C19 C20 C21 118.57(16) . .
C19 C20 C24 120.67(17) . .
C21 C20 C24 120.75(16) . .
C22 C21 C20 121.50(16) . .
C22 C21 H21 119.2 . .
C20 C21 H21 119.2 . .
C21 C22 C23 119.03(16) . .
C21 C22 C25 121.07(17) . .
C23 C22 C25 119.89(17) . .
C18 C23 C22 120.63(16) . .
C18 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C26 O1 C26 106.7(5) . 2_755
C27 C26 O1 108.6(5) . .
C27 C26 H26A 110.0 . .
O1 C26 H26A 110.0 . .
C27 C26 H26B 110.0 . .
O1 C26 H26B 110.0 . .
H26A C26 H26B 108.3 . .
C26 C27 C27 108.0(3) . 2_755
C26 C27 H27A 110.1 . .
C27 C27 H27A 110.1 2_755 .
C26 C27 H27B 110.1 . .
C27 C27 H27B 110.1 2_755 .
H27A C27 H27B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N1 1.7644(14) 7_556
Si1 N1 1.7654(14) .
Si1 Si2 2.4836(6) .
Si1 Si1 2.6380(9) 7_556
Si2 C15 1.8958(17) .
Si2 C1 1.9155(16) .
Si2 C8 1.9172(17) .
Si3 C3 1.867(2) .
Si3 C2 1.869(2) .
Si3 C4 1.881(2) .
Si3 C1 1.8999(17) .
Si4 C7 1.863(3) .
Si4 C6 1.874(2) .
Si4 C5 1.874(2) .
Si4 C1 1.9099(17) .
Si5 C11 1.873(2) .
Si5 C9 1.878(3) .
Si5 C10 1.884(2) .
Si5 C8 1.9186(17) .
Si6 C14 1.876(2) .
Si6 C13 1.877(2) .
Si6 C12 1.880(2) .
Si6 C8 1.9016(18) .
N1 C18 1.4140(19) .
N1 Si1 1.7643(14) 7_556
C1 H1 1.0000 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8 1.0000 .
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 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
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 C16 1.527(3) .
C15 C17 1.538(3) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C23 1.396(2) .
C18 C19 1.399(2) .
C19 C20 1.392(2) .
C19 H19 0.9500 .
C20 C21 1.392(3) .
C20 C24 1.512(3) .
C21 C22 1.392(3) .
C21 H21 0.9500 .
C22 C23 1.396(2) .
C22 C25 1.512(3) .
C23 H23 0.9500 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
O1 C26 1.393(5) .
O1 C26 1.393(5) 2_755
C26 C27 1.353(7) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C27 1.398(13) 2_755
C27 H27A 0.9900 .
C27 H27B 0.9900 .
