#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:50:35 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178826 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/80/4108072.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_4108072
loop_
_publ_author_name
'John J. Curley'
'Timothy R. Cook'
'Steven Y. Reece'
'Peter Müller'
'Christopher C. Cummins'
_publ_contact_author_address
;Massachusetts Institute of Technology
77 Massachusetts Avenue
Cambridge, MA
02139
6-435
;
_publ_contact_author_email       ccummins@mit.edu
_publ_contact_author_name        'Christopher C. Cummins'
_publ_section_title
;
 Shining Light on Dinitrogen Cleavage: Structural Features, Redox
 Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen
 Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9394
_journal_page_last               9405
_journal_paper_doi               10.1021/ja8002638
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C84 H144 Mo2 N8 O2 Si4'
_chemical_formula_weight         1602.31
_chemical_name_common            'Compound 2 in main text'
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/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                 99.162(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.2758(19)
_cell_length_b                   11.4817(12)
_cell_length_c                   21.050(2)
_cell_measurement_reflns_used    8777
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.22
_cell_volume                     4599.3(8)
_computing_cell_refinement       'SAINT 7 (Bruker-AXS, 2005)'
_computing_data_collection       'SMART 5 (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT 7 (Bruker-AXS, 2005)'
_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      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'omega and phi 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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            100897
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.370
_exptl_absorpt_correction_T_max  0.9639
_exptl_absorpt_correction_T_min  0.8970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2005)'
_exptl_crystal_colour            indigo
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_description       plate
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.361
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         12895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0482P)²+2.5985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                11329
_reflns_number_total             12895
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8002638-file001_3.cif
_cod_data_source_block           06186
_cod_database_code               4108072
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
N4 N 0.28059(6) 0.06290(10) 0.74648(6) 0.0145(2) Uani 1 1 d .
Mo1 Mo 0.374862(6) 0.062630(10) 0.735508(5) 0.01223(4) Uani 1 1 d .
N1 N 0.40216(6) -0.10416(11) 0.74682(6) 0.0152(2) Uani 1 1 d .
C11 C 0.45718(7) -0.13232(12) 0.71024(7) 0.0159(3) Uani 1 1 d .
C12 C 0.52785(8) -0.12133(13) 0.73766(7) 0.0180(3) Uani 1 1 d .
H12 H 0.5398 -0.0933 0.7805 0.022 Uiso 1 1 calc R
C13 C 0.58124(8) -0.15123(13) 0.70262(7) 0.0194(3) Uani 1 1 d .
C14 C 0.56314(8) -0.18912(14) 0.63949(7) 0.0208(3) Uani 1 1 d .
H14 H 0.5993 -0.2084 0.6154 0.025 Uiso 1 1 calc R
C15 C 0.49315(8) -0.19949(13) 0.61065(7) 0.0190(3) Uani 1 1 d .
C16 C 0.44069(8) -0.17168(13) 0.64677(7) 0.0171(3) Uani 1 1 d .
H16 H 0.3928 -0.1797 0.6278 0.021 Uiso 1 1 calc R
C17 C 0.38066(8) -0.20465(13) 0.78487(7) 0.0178(3) Uani 1 1 d .
C131 C 0.65732(8) -0.14400(16) 0.73388(8) 0.0261(3) Uani 1 1 d .
H13A H 0.6614 -0.0935 0.7718 0.039 Uiso 1 1 calc R
H13B H 0.6854 -0.1117 0.7032 0.039 Uiso 1 1 calc R
H13C H 0.6745 -0.2221 0.7469 0.039 Uiso 1 1 calc R
C151 C 0.47490(9) -0.23748(16) 0.54139(8) 0.0276(3) Uani 1 1 d .
H15A H 0.4303 -0.2801 0.5354 0.041 Uiso 1 1 calc R
H15B H 0.5121 -0.2882 0.5304 0.041 Uiso 1 1 calc R
H15C H 0.4705 -0.1688 0.5134 0.041 Uiso 1 1 calc R
C171 C 0.33008(8) -0.15984(13) 0.82816(7) 0.0201(3) Uani 1 1 d .
H17A H 0.3528 -0.0975 0.8558 0.030 Uiso 1 1 calc R
H17B H 0.3174 -0.2237 0.8550 0.030 Uiso 1 1 calc R
H17C H 0.2876 -0.1295 0.8015 0.030 Uiso 1 1 calc R
C172 C 0.34547(8) -0.30062(14) 0.74016(8) 0.0233(3) Uani 1 1 d .
H17D H 0.3062 -0.2674 0.7104 0.035 Uiso 1 1 calc R
H17E H 0.3279 -0.3618 0.7659 0.035 Uiso 1 1 calc R
H17F H 0.3798 -0.3340 0.7156 0.035 Uiso 1 1 calc R
C173 C 0.44463(8) -0.25781(14) 0.82807(8) 0.0234(3) Uani 1 1 d .
H17G H 0.4760 -0.2932 0.8012 0.035 Uiso 1 1 calc R
H17H H 0.4288 -0.3175 0.8558 0.035 Uiso 1 1 calc R
H17I H 0.4699 -0.1966 0.8548 0.035 Uiso 1 1 calc R
N2 N 0.42105(6) 0.17078(11) 0.80280(6) 0.0151(2) Uani 1 1 d .
C21 C 0.49121(7) 0.13174(13) 0.82733(7) 0.0161(3) Uani 1 1 d .
C22 C 0.54916(8) 0.16942(14) 0.80032(7) 0.0184(3) Uani 1 1 d .
H22 H 0.5424 0.2219 0.7650 0.022 Uiso 1 1 calc R
C23 C 0.61687(8) 0.13047(14) 0.82499(7) 0.0213(3) Uani 1 1 d .
C24 C 0.62579(8) 0.05274(14) 0.87616(8) 0.0223(3) Uani 1 1 d .
H24 H 0.6716 0.0251 0.8924 0.027 Uiso 1 1 calc R
C25 C 0.56914(8) 0.01423(14) 0.90431(7) 0.0208(3) Uani 1 1 d .
C26 C 0.50221(8) 0.05411(13) 0.87919(7) 0.0180(3) Uani 1 1 d .
H26 H 0.4631 0.0280 0.8977 0.022 Uiso 1 1 calc R
C27 C 0.40025(7) 0.28065(13) 0.83308(7) 0.0166(3) Uani 1 1 d .
C231 C 0.67957(9) 0.17503(17) 0.79747(9) 0.0293(4) Uani 1 1 d .
H23A H 0.7028 0.2367 0.8253 0.044 Uiso 1 1 calc R
H23B H 0.6639 0.2063 0.7543 0.044 Uiso 1 1 calc R
H23C H 0.7127 0.1110 0.7950 0.044 Uiso 1 1 calc R
C251 C 0.58038(10) -0.06526(16) 0.96200(8) 0.0293(4) Uani 1 1 d .
H25A H 0.5905 -0.0185 1.0014 0.044 Uiso 1 1 calc R
H25B H 0.6201 -0.1173 0.9592 0.044 Uiso 1 1 calc R
H25C H 0.5379 -0.1117 0.9630 0.044 Uiso 1 1 calc R
C271 C 0.39956(8) 0.26296(14) 0.90526(7) 0.0216(3) Uani 1 1 d .
H27A H 0.3672 0.1996 0.9113 0.032 Uiso 1 1 calc R
H27B H 0.3841 0.3349 0.9238 0.032 Uiso 1 1 calc R
H27C H 0.4470 0.2430 0.9267 0.032 Uiso 1 1 calc R
C272 C 0.32695(8) 0.31525(13) 0.79974(7) 0.0203(3) Uani 1 1 d .
H27D H 0.3271 0.3237 0.7534 0.030 Uiso 1 1 calc R
H27E H 0.3135 0.3894 0.8174 0.030 Uiso 1 1 calc R
H27F H 0.2932 0.2548 0.8070 0.030 Uiso 1 1 calc R
C273 C 0.45144(8) 0.38013(14) 0.82456(8) 0.0226(3) Uani 1 1 d .
H27G H 0.4982 0.3612 0.8478 0.034 Uiso 1 1 calc R
H27H H 0.4348 0.4525 0.8417 0.034 Uiso 1 1 calc R
H27I H 0.4539 0.3901 0.7787 0.034 Uiso 1 1 calc R
N3 N 0.37193(6) 0.12537(11) 0.64757(6) 0.0148(2) Uani 1 1 d .
C32 C 0.43837(8) 0.30915(13) 0.64873(7) 0.0195(3) Uani 1 1 d .
H32 H 0.3975 0.3502 0.6559 0.023 Uiso 1 1 calc R
C33 C 0.49947(9) 0.37081(14) 0.64430(8) 0.0228(3) Uani 1 1 d .
C34 C 0.55958(8) 0.30884(15) 0.63473(7) 0.0225(3) Uani 1 1 d .
H34 H 0.6017 0.3501 0.6319 0.027 Uiso 1 1 calc R
C35 C 0.55876(8) 0.18806(14) 0.62929(7) 0.0200(3) Uani 1 1 d .
C36 C 0.49641(8) 0.12786(13) 0.63300(7) 0.0174(3) Uani 1 1 d .
H36 H 0.4952 0.0455 0.6288 0.021 Uiso 1 1 calc R
C37 C 0.32052(7) 0.11962(13) 0.58630(7) 0.0167(3) Uani 1 1 d .
C331 C 0.50083(10) 0.50219(15) 0.65005(10) 0.0326(4) Uani 1 1 d .
H33A H 0.4586 0.5347 0.6241 0.049 Uiso 1 1 calc R
H33B H 0.5426 0.5326 0.6346 0.049 Uiso 1 1 calc R
H33C H 0.5022 0.5243 0.6952 0.049 Uiso 1 1 calc R
C351 C 0.62358(8) 0.12172(16) 0.61897(8) 0.0266(3) Uani 1 1 d .
H35A H 0.6625 0.1763 0.6182 0.040 Uiso 1 1 calc R
H35B H 0.6142 0.0800 0.5779 0.040 Uiso 1 1 calc R
H35C H 0.6361 0.0658 0.6541 0.040 Uiso 1 1 calc R
C371 C 0.29196(8) 0.24084(14) 0.56549(8) 0.0229(3) Uani 1 1 d .
H37A H 0.2731 0.2777 0.6011 0.034 Uiso 1 1 calc R
H37B H 0.2546 0.2334 0.5283 0.034 Uiso 1 1 calc R
H37C H 0.3300 0.2889 0.5538 0.034 Uiso 1 1 calc R
C372 C 0.35583(9) 0.06703(14) 0.53230(7) 0.0224(3) Uani 1 1 d .
H37D H 0.3938 0.1184 0.5236 0.034 Uiso 1 1 calc R
H37E H 0.3210 0.0588 0.4932 0.034 Uiso 1 1 calc R
H37F H 0.3752 -0.0097 0.5457 0.034 Uiso 1 1 calc R
C373 C 0.25978(8) 0.04132(14) 0.59743(7) 0.0190(3) Uani 1 1 d .
H37G H 0.2782 -0.0345 0.6136 0.028 Uiso 1 1 calc R
H37H H 0.2278 0.0304 0.5568 0.028 Uiso 1 1 calc R
H37I H 0.2343 0.0776 0.6290 0.028 Uiso 1 1 calc R
C31 C 0.43582(7) 0.18764(13) 0.64276(7) 0.0161(3) Uani 1 1 d .
O1S O 0.79970(8) 0.42013(12) 0.58187(7) 0.0372(3) Uani 1 1 d .
Si1 Si 0.80486(2) 0.35794(4) 0.51279(2) 0.02285(9) Uani 1 1 d .
C1S C 0.89680(10) 0.3134(2) 0.51130(10) 0.0375(4) Uani 1 1 d .
H1S1 H 0.9265 0.3828 0.5120 0.056 Uiso 1 1 calc R
H1S2 H 0.8992 0.2687 0.4720 0.056 Uiso 1 1 calc R
H1S3 H 0.9134 0.2650 0.5490 0.056 Uiso 1 1 calc R
C2S C 0.77368(13) 0.45884(17) 0.44526(10) 0.0390(5) Uani 1 1 d .
H2S1 H 0.7246 0.4801 0.4463 0.059 Uiso 1 1 calc R
H2S2 H 0.7772 0.4204 0.4043 0.059 Uiso 1 1 calc R
H2S3 H 0.8028 0.5292 0.4495 0.059 Uiso 1 1 calc R
C3S C 0.74590(10) 0.22996(17) 0.50547(9) 0.0323(4) Uani 1 1 d .
H3S1 H 0.7613 0.1757 0.5409 0.048 Uiso 1 1 calc R
H3S2 H 0.7474 0.1909 0.4643 0.048 Uiso 1 1 calc R
H3S3 H 0.6977 0.2554 0.5074 0.048 Uiso 1 1 calc R
Si2 Si 0.81407(3) 0.53859(5) 0.62466(2) 0.03079(11) Uani 1 1 d .
C4S C 0.88058(14) 0.6296(2) 0.59424(13) 0.0552(6) Uani 1 1 d .
H4S1 H 0.9244 0.5854 0.5963 0.083 Uiso 1 1 calc R
H4S2 H 0.8893 0.6998 0.6208 0.083 Uiso 1 1 calc R
H4S3 H 0.8634 0.6518 0.5496 0.083 Uiso 1 1 calc R
C5S C 0.84658(15) 0.4975(2) 0.70933(10) 0.0516(6) Uani 1 1 d .
H5S1 H 0.8103 0.4528 0.7264 0.077 Uiso 1 1 calc R
H5S2 H 0.8575 0.5680 0.7352 0.077 Uiso 1 1 calc R
H5S3 H 0.8891 0.4499 0.7112 0.077 Uiso 1 1 calc R
C6S C 0.72983(14) 0.6196(2) 0.61895(12) 0.0542(6) Uani 1 1 d .
H6S1 H 0.7115 0.6356 0.5737 0.081 Uiso 1 1 calc R
H6S2 H 0.7378 0.6932 0.6425 0.081 Uiso 1 1 calc R
H6S3 H 0.6958 0.5726 0.6377 0.081 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'
Mo Mo -1.6832 0.6857 '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
N4 N4 Mo1 179.87(14) 2_556
N4 Mo1 N3 103.40(5) .
N4 Mo1 N2 104.20(5) .
N3 Mo1 N2 112.49(5) .
N4 Mo1 N1 103.33(5) .
N3 Mo1 N1 115.46(5) .
N2 Mo1 N1 115.89(5) .
C11 N1 C17 113.67(11) .
C11 N1 Mo1 110.77(9) .
C17 N1 Mo1 135.54(9) .
C12 C11 C16 118.80(13) .
C12 C11 N1 120.68(13) .
C16 C11 N1 120.51(13) .
C11 C12 C13 120.65(14) .
C14 C13 C12 119.13(14) .
C14 C13 C131 120.82(13) .
C12 C13 C131 120.04(14) .
C13 C14 C15 121.45(13) .
C14 C15 C16 118.58(14) .
C14 C15 C151 120.41(14) .
C16 C15 C151 121.00(14) .
C15 C16 C11 121.36(13) .
N1 C17 C171 108.45(12) .
N1 C17 C172 110.94(12) .
C171 C17 C172 110.25(12) .
N1 C17 C173 110.95(12) .
C171 C17 C173 108.01(12) .
C172 C17 C173 108.19(13) .
C21 N2 C27 114.19(11) .
C21 N2 Mo1 110.49(9) .
C27 N2 Mo1 135.33(9) .
C26 C21 C22 118.82(13) .
C26 C21 N2 119.68(13) .
C22 C21 N2 121.50(13) .
C23 C22 C21 120.53(14) .
C24 C23 C22 119.10(14) .
C24 C23 C231 120.50(14) .
C22 C23 C231 120.37(15) .
C23 C24 C25 121.66(14) .
C26 C25 C24 118.39(14) .
C26 C25 C251 120.74(15) .
C24 C25 C251 120.84(14) .
C25 C26 C21 121.49(14) .
N2 C27 C272 108.34(11) .
N2 C27 C271 110.80(12) .
C272 C27 C271 109.64(12) .
N2 C27 C273 110.84(12) .
C272 C27 C273 108.48(12) .
C271 C27 C273 108.70(12) .
C31 N3 C37 114.65(11) .
C31 N3 Mo1 110.41(9) .
C37 N3 Mo1 134.91(9) .
C33 C32 C31 121.27(14) .
C32 C33 C34 118.68(15) .
C32 C33 C331 120.42(15) .
C34 C33 C331 120.90(14) .
C35 C34 C33 121.27(14) .
C34 C35 C36 119.10(14) .
C34 C35 C351 121.09(14) .
C36 C35 C351 119.81(15) .
C31 C36 C35 120.71(14) .
N3 C37 C373 108.24(11) .
N3 C37 C371 111.34(12) .
C373 C37 C371 109.24(12) .
N3 C37 C372 110.10(12) .
C373 C37 C372 108.86(12) .
C371 C37 C372 109.02(12) .
C36 C31 C32 118.95(13) .
C36 C31 N3 120.66(13) .
C32 C31 N3 120.38(13) .
Si2 O1S Si1 145.64(10) .
O1S Si1 C3S 107.29(8) .
O1S Si1 C1S 109.25(9) .
C3S Si1 C1S 110.89(10) .
O1S Si1 C2S 110.46(9) .
C3S Si1 C2S 108.19(9) .
C1S Si1 C2S 110.71(10) .
O1S Si2 C4S 110.28(10) .
O1S Si2 C5S 108.69(10) .
C4S Si2 C5S 109.30(13) .
O1S Si2 C6S 108.17(11) .
C4S Si2 C6S 110.03(14) .
C5S Si2 C6S 110.35(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N4 N4 1.212(2) 2_556
Mo1 Mo1 4.9476(5) 2_556
N4 Mo1 1.8679(12) .
Mo1 N3 1.9788(12) .
Mo1 N2 1.9849(12) .
Mo1 N1 1.9902(12) .
N1 C11 1.4430(18) .
N1 C17 1.5000(18) .
C11 C12 1.398(2) .
C11 C16 1.398(2) .
C12 C13 1.401(2) .
C13 C14 1.389(2) .
C13 C131 1.511(2) .
C14 C15 1.393(2) .
C15 C16 1.395(2) .
C15 C151 1.509(2) .
C17 C171 1.526(2) .
C17 C172 1.535(2) .
C17 C173 1.537(2) .
N2 C21 1.4400(18) .
N2 C27 1.4966(18) .
C21 C26 1.399(2) .
C21 C22 1.400(2) .
C22 C23 1.399(2) .
C23 C24 1.388(2) .
C23 C231 1.510(2) .
C24 C25 1.395(2) .
C25 C26 1.392(2) .
C25 C251 1.507(2) .
C27 C272 1.527(2) .
C27 C271 1.535(2) .
C27 C273 1.538(2) .
N3 C31 1.4414(18) .
N3 C37 1.4976(18) .
C32 C33 1.390(2) .
C32 C31 1.401(2) .
C33 C34 1.401(2) .
C33 C331 1.513(2) .
C34 C35 1.391(2) .
C35 C36 1.399(2) .
C35 C351 1.508(2) .
C36 C31 1.398(2) .
C37 C373 1.524(2) .
C37 C371 1.535(2) .
C37 C372 1.538(2) .
O1S Si2 1.6305(14) .
O1S Si1 1.6371(14) .
Si1 C3S 1.8490(19) .
Si1 C1S 1.850(2) .
Si1 C2S 1.858(2) .
Si2 C4S 1.845(3) .
Si2 C5S 1.854(2) .
Si2 C6S 1.858(2) .
