#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:41:31 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178959 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/88/4118822.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_4118822
loop_
_publ_author_name
'Muhammad Farooq Ibad'
'Peter Langer'
'Fabian Reiß'
'Axel Schulz'
'Alexander Villinger'
_publ_contact_author_address
;
Universität Rostock
Institut für Chemie
Abteilung für Anorganische Chemie
Albert-Einstein-Strasse 3a 
18059 Rostock
Bundesrepublik Deutschland
;
_publ_contact_author_email
;
axel.schulz@uni-rostock.de, alexander.villinger@uni-rostock.de'
;
_publ_contact_author_fax         '+49 (0)381/498-6382'
_publ_contact_author_name        'Axel Schulz, Alexander Villinger'
_publ_contact_author_phone       '+49 (0)381/498-6400 or 6403'
_publ_section_title
;
 Catalytic Trimerization of Bis-silylated Diazomethane
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17757
_journal_page_last               17768
_journal_paper_doi               10.1021/ja308104k
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C21 H54 N6 Si6 , 0.5(C6 H14)'
_chemical_formula_sum            'C24 H61 N6 Si6'
_chemical_formula_weight         602.33
_chemical_name_systematic
;
4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl-
1H-pyrazole n-hexane hemisolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_author_name               'Villinger, A.'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.101(2)
_cell_angle_beta                 108.397(2)
_cell_angle_gamma                92.853(2)
_cell_formula_units_Z            2
_cell_length_a                   11.5287(4)
_cell_length_b                   12.7713(4)
_cell_length_c                   13.9033(5)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      61.551
_cell_measurement_theta_min      4.714
_cell_volume                     1923.91(12)
_computing_cell_refinement       'Bruker Apex v2.0-2'
_computing_data_collection       'Bruker Apex v2.0-2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa Apex II-CCD-diffractometer'
_diffrn_measurement_method       'phi and psi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            63032
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.238
_exptl_absorpt_correction_T_max  0.9363
_exptl_absorpt_correction_T_min  0.8861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.040
_exptl_crystal_description       block
_exptl_crystal_F_000             662
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         13840
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0434
_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)+(0.0663P)²+0.0611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                9645
_reflns_number_total             13840
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja308104k_si_001_11.cif
_cod_data_source_block           av715r_(cnn)3_hexane
_cod_original_cell_volume        1923.90(11)
_cod_database_code               4118822
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_group
C22A C 0.5377(7) 0.5185(6) 0.4689(4) 0.1044(16) Uani 0.681(9) 1 d PD 1
H22A H 0.5109 0.5879 0.4492 0.125 Uiso 0.681(9) 1 calc PR 1
H22B H 0.6239 0.5313 0.5145 0.125 Uiso 0.681(9) 1 calc PR 1
C23A C 0.5379(10) 0.4538(5) 0.3772(7) 0.161(3) Uani 0.681(9) 1 d PD 1
H23A H 0.4519 0.4435 0.3308 0.193 Uiso 0.681(9) 1 calc PR 1
H23B H 0.5610 0.3836 0.3967 0.193 Uiso 0.681(9) 1 calc PR 1
C24A C 0.6150(8) 0.4863(6) 0.3158(6) 0.1035(16) Uani 0.681(9) 1 d PD 1
H24A H 0.5963 0.5566 0.2965 0.155 Uiso 0.681(9) 1 calc PR 1
H24B H 0.5978 0.4354 0.2541 0.155 Uiso 0.681(9) 1 calc PR 1
H24C H 0.7019 0.4882 0.3565 0.155 Uiso 0.681(9) 1 calc PR 1
C22B C 0.4933(12) 0.5104(17) 0.4468(6) 0.1044(16) Uani 0.319(9) 1 d PD 2
H22C H 0.4182 0.4687 0.4001 0.125 Uiso 0.319(9) 1 calc PR 2
H22D H 0.4803 0.5860 0.4423 0.125 Uiso 0.319(9) 1 calc PR 2
C23B C 0.5945(15) 0.4865(15) 0.4098(13) 0.161(3) Uani 0.319(9) 1 d PD 2
H23C H 0.5986 0.4089 0.4032 0.193 Uiso 0.319(9) 1 calc PR 2
H23D H 0.6716 0.5185 0.4623 0.193 Uiso 0.319(9) 1 calc PR 2
C24B C 0.590(2) 0.5228(12) 0.3103(14) 0.1035(16) Uani 0.319(9) 1 d PD 2
H24D H 0.5888 0.4616 0.2609 0.155 Uiso 0.319(9) 1 calc PR 2
H24E H 0.6627 0.5713 0.3203 0.155 Uiso 0.319(9) 1 calc PR 2
H24F H 0.5159 0.5594 0.2844 0.155 Uiso 0.319(9) 1 calc PR 2
N1 N 0.09079(9) 0.00007(7) 0.29875(8) 0.0268(2) Uani 1 1 d . .
N2 N 0.13214(9) -0.10031(7) 0.28672(7) 0.02527(19) Uani 1 1 d . .
N3 N -0.18532(9) -0.15900(7) 0.14990(7) 0.02508(19) Uani 1 1 d . .
N4 N -0.19037(9) -0.24933(7) 0.09929(7) 0.0272(2) Uani 1 1 d . .
N5 N -0.10283(9) 0.06998(7) 0.25636(7) 0.02518(19) Uani 1 1 d . .
N6 N -0.03677(9) 0.17457(7) 0.27822(7) 0.0260(2) Uani 1 1 d . .
Si1 Si 0.29419(3) -0.09560(3) 0.30911(3) 0.03189(9) Uani 1 1 d . .
Si2 Si 0.03718(3) -0.32434(2) 0.23474(2) 0.02662(8) Uani 1 1 d . .
Si3 Si -0.34058(3) -0.29977(3) 0.01710(3) 0.03096(9) Uani 1 1 d . .
Si4 Si -0.26014(3) 0.05986(3) 0.24391(3) 0.03002(8) Uani 1 1 d . .
Si5 Si -0.03123(4) 0.22784(3) 0.16921(3) 0.03485(9) Uani 1 1 d . .
Si6 Si 0.03585(4) 0.22723(2) 0.40652(3) 0.03199(9) Uani 1 1 d . .
C1 C 0.03762(10) -0.17528(8) 0.23810(8) 0.0226(2) Uani 1 1 d . .
C2 C -0.06762(10) -0.12118(8) 0.21332(8) 0.0222(2) Uani 1 1 d . .
C3 C -0.03016(10) -0.01316(8) 0.25663(8) 0.0227(2) Uani 1 1 d . .
C4 C 0.34187(16) 0.03547(14) 0.28369(18) 0.0627(5) Uani 1 1 d . .
H4A H 0.2940 0.0466 0.2141 0.094 Uiso 1 1 calc R .
H4B H 0.4293 0.0395 0.2907 0.094 Uiso 1 1 calc R .
H4C H 0.3277 0.0902 0.3328 0.094 Uiso 1 1 calc R .
C5 C 0.37466(14) -0.11543(14) 0.44282(12) 0.0508(4) Uani 1 1 d . .
H5A H 0.3569 -0.0600 0.4892 0.076 Uiso 1 1 calc R .
H5B H 0.4633 -0.1120 0.4547 0.076 Uiso 1 1 calc R .
H5C H 0.3465 -0.1848 0.4554 0.076 Uiso 1 1 calc R .
C6 C 0.32340(16) -0.19564(15) 0.21497(14) 0.0564(4) Uani 1 1 d . .
H6A H 0.2882 -0.2654 0.2203 0.085 Uiso 1 1 calc R .
H6B H 0.4121 -0.1970 0.2289 0.085 Uiso 1 1 calc R .
H6C H 0.2854 -0.1775 0.1459 0.085 Uiso 1 1 calc R .
C7 C 0.17090(14) -0.35580(11) 0.34248(12) 0.0443(3) Uani 1 1 d . .
H7A H 0.1652 -0.4319 0.3469 0.066 Uiso 1 1 calc R .
H7B H 0.1700 -0.3167 0.4068 0.066 Uiso 1 1 calc R .
H7C H 0.2475 -0.3353 0.3301 0.066 Uiso 1 1 calc R .
C8 C 0.04443(15) -0.39329(11) 0.11222(10) 0.0418(3) Uani 1 1 d . .
H8A H 0.0277 -0.4697 0.1100 0.063 Uiso 1 1 calc R .
H8B H 0.1264 -0.3784 0.1072 0.063 Uiso 1 1 calc R .
H8C H -0.0170 -0.3682 0.0549 0.063 Uiso 1 1 calc R .
C9 C -0.09803(13) -0.37582(10) 0.26846(10) 0.0374(3) Uani 1 1 d . .
H9A H -0.1586 -0.4152 0.2075 0.056 Uiso 1 1 calc R .
H9B H -0.1352 -0.3165 0.2944 0.056 Uiso 1 1 calc R .
H9C H -0.0711 -0.4228 0.3211 0.056 Uiso 1 1 calc R .
C10 C -0.32885(16) -0.44210(12) -0.01772(14) 0.0547(4) Uani 1 1 d . .
H10A H -0.2596 -0.4502 -0.0437 0.082 Uiso 1 1 calc R .
H10B H -0.4049 -0.4727 -0.0706 0.082 Uiso 1 1 calc R .
H10C H -0.3158 -0.4787 0.0428 0.082 Uiso 1 1 calc R .
C11 C -0.37627(16) -0.22977(13) -0.09753(12) 0.0505(4) Uani 1 1 d . .
H11A H -0.3870 -0.1557 -0.0784 0.076 Uiso 1 1 calc R .
H11B H -0.4520 -0.2634 -0.1488 0.076 Uiso 1 1 calc R .
H11C H -0.3086 -0.2332 -0.1260 0.076 Uiso 1 1 calc R .
C12 C -0.45569(15) -0.27948(14) 0.08382(14) 0.0521(4) Uani 1 1 d . .
H12A H -0.4314 -0.3122 0.1470 0.078 Uiso 1 1 calc R .
H12B H -0.5362 -0.3119 0.0394 0.078 Uiso 1 1 calc R .
H12C H -0.4602 -0.2036 0.1003 0.078 Uiso 1 1 calc R .
C13 C -0.29238(13) -0.04662(11) 0.31628(11) 0.0385(3) Uani 1 1 d . .
H13A H -0.2779 -0.1150 0.2850 0.058 Uiso 1 1 calc R .
H13B H -0.3781 -0.0480 0.3146 0.058 Uiso 1 1 calc R .
H13C H -0.2381 -0.0328 0.3873 0.058 Uiso 1 1 calc R .
C14 C -0.35916(14) 0.03670(12) 0.10764(11) 0.0452(3) Uani 1 1 d . .
H14A H -0.3501 0.0992 0.0745 0.068 Uiso 1 1 calc R .
H14B H -0.4450 0.0235 0.1039 0.068 Uiso 1 1 calc R .
H14C H -0.3345 -0.0248 0.0728 0.068 Uiso 1 1 calc R .
C15 C -0.29940(14) 0.18733(11) 0.29985(11) 0.0408(3) Uani 1 1 d . .
H15A H -0.2495 0.2027 0.3721 0.061 Uiso 1 1 calc R .
H15B H -0.3865 0.1818 0.2939 0.061 Uiso 1 1 calc R .
H15C H -0.2828 0.2444 0.2629 0.061 Uiso 1 1 calc R .
C16 C -0.0298(2) 0.12194(13) 0.06765(12) 0.0605(5) Uani 1 1 d . .
H16A H 0.0417 0.0819 0.0929 0.091 Uiso 1 1 calc R .
H16B H -0.0252 0.1536 0.0076 0.091 Uiso 1 1 calc R .
H16C H -0.1050 0.0744 0.0488 0.091 Uiso 1 1 calc R .
C17 C -0.16338(17) 0.30752(13) 0.11874(12) 0.0517(4) Uani 1 1 d . .
H17A H -0.2394 0.2606 0.0916 0.078 Uiso 1 1 calc R .
H17B H -0.1510 0.3446 0.0641 0.078 Uiso 1 1 calc R .
H17C H -0.1692 0.3592 0.1740 0.078 Uiso 1 1 calc R .
C18 C 0.11179(18) 0.31834(13) 0.20300(15) 0.0577(4) Uani 1 1 d . .
H18A H 0.1105 0.3762 0.2548 0.087 Uiso 1 1 calc R .
H18B H 0.1167 0.3474 0.1418 0.087 Uiso 1 1 calc R .
H18C H 0.1833 0.2790 0.2301 0.087 Uiso 1 1 calc R .
C19 C -0.01512(15) 0.14543(10) 0.49072(10) 0.0408(3) Uani 1 1 d . .
H19A H -0.1023 0.1524 0.4808 0.061 Uiso 1 1 calc R .
H19B H 0.0331 0.1694 0.5622 0.061 Uiso 1 1 calc R .
H19C H -0.0031 0.0712 0.4736 0.061 Uiso 1 1 calc R .
C20 C -0.00575(17) 0.36593(10) 0.42318(11) 0.0482(4) Uani 1 1 d . .
H20A H 0.0170 0.4062 0.3747 0.072 Uiso 1 1 calc R .
H20B H 0.0383 0.3989 0.4931 0.072 Uiso 1 1 calc R .
H20C H -0.0944 0.3655 0.4105 0.072 Uiso 1 1 calc R .
C21 C 0.20669(15) 0.23339(14) 0.44977(14) 0.0558(4) Uani 1 1 d . .
H21A H 0.2327 0.1615 0.4471 0.084 Uiso 1 1 calc R .
H21B H 0.2397 0.2690 0.5201 0.084 Uiso 1 1 calc R .
H21C H 0.2376 0.2728 0.4049 0.084 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'
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
C23A C22A C22A 120.1(8) . 2_666
C23A C22A H22A 107.3 . .
C22A C22A H22A 107.3 2_666 .
C23A C22A H22B 107.3 . .
C22A C22A H22B 107.3 2_666 .
H22A C22A H22B 106.9 . .
C22A C23A C24A 121.5(6) . .
C22A C23A H23A 106.9 . .
C24A C23A H23A 106.9 . .
C22A C23A H23B 106.9 . .
C24A C23A H23B 106.9 . .
H23A C23A H23B 106.7 . .
C23B C22B C22B 116.6(16) . 2_666
C23B C22B H22C 108.1 . .
C22B C22B H22C 108.1 2_666 .
C23B C22B H22D 108.1 . .
C22B C22B H22D 108.1 2_666 .
H22C C22B H22D 107.3 . .
C22B C23B C24B 116.5(13) . .
C22B C23B H23C 108.2 . .
C24B C23B H23C 108.2 . .
C22B C23B H23D 108.2 . .
C24B C23B H23D 108.2 . .
H23C C23B H23D 107.3 . .
C23B C24B H24D 109.5 . .
C23B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
C23B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
C3 N1 N2 105.73(9) . .
C1 N2 N1 111.82(9) . .
C1 N2 Si1 133.20(8) . .
N1 N2 Si1 112.84(7) . .
N4 N3 C2 113.77(9) . .
N3 N4 Si3 114.69(8) . .
C3 N5 N6 114.68(9) . .
C3 N5 Si4 126.29(7) . .
N6 N5 Si4 118.77(7) . .
N5 N6 Si5 113.62(7) . .
N5 N6 Si6 118.31(7) . .
Si5 N6 Si6 127.88(6) . .
N2 Si1 C4 106.96(6) . .
N2 Si1 C5 109.90(6) . .
C4 Si1 C5 110.67(9) . .
N2 Si1 C6 108.50(6) . .
C4 Si1 C6 107.69(9) . .
C5 Si1 C6 112.90(8) . .
C8 Si2 C9 112.63(7) . .
C8 Si2 C7 109.13(7) . .
C9 Si2 C7 102.90(7) . .
C8 Si2 C1 113.57(6) . .
C9 Si2 C1 109.03(6) . .
C7 Si2 C1 109.00(6) . .
N4 Si3 C11 107.58(7) . .
N4 Si3 C10 105.16(6) . .
C11 Si3 C10 110.61(8) . .
N4 Si3 C12 110.69(6) . .
C11 Si3 C12 110.90(8) . .
C10 Si3 C12 111.67(8) . .
N5 Si4 C14 111.90(6) . .
N5 Si4 C13 109.45(6) . .
C14 Si4 C13 111.38(7) . .
N5 Si4 C15 109.17(6) . .
C14 Si4 C15 106.57(7) . .
C13 Si4 C15 108.25(7) . .
N6 Si5 C16 110.77(6) . .
N6 Si5 C17 111.78(6) . .
C16 Si5 C17 109.22(8) . .
N6 Si5 C18 108.86(7) . .
C16 Si5 C18 108.81(9) . .
C17 Si5 C18 107.30(8) . .
N6 Si6 C19 109.61(5) . .
N6 Si6 C21 114.94(7) . .
C19 Si6 C21 106.64(8) . .
N6 Si6 C20 107.79(6) . .
C19 Si6 C20 111.06(7) . .
C21 Si6 C20 106.79(8) . .
N2 C1 C2 105.61(9) . .
N2 C1 Si2 128.16(8) . .
C2 C1 Si2 124.37(8) . .
C1 C2 N3 128.06(9) . .
C1 C2 C3 106.73(9) . .
N3 C2 C3 124.89(10) . .
N1 C3 N5 121.82(9) . .
N1 C3 C2 109.93(10) . .
N5 C3 C2 128.24(10) . .
Si1 C4 H4A 109.5 . .
Si1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si1 C5 H5A 109.5 . .
Si1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si1 C6 H6A 109.5 . .
Si1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si2 C7 H7A 109.5 . .
Si2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si2 C8 H8A 109.5 . .
Si2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si2 C9 H9A 109.5 . .
Si2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si3 C10 H10A 109.5 . .
Si3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si3 C11 H11A 109.5 . .
Si3 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si3 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si3 C12 H12A 109.5 . .
Si3 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si3 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si4 C13 H13A 109.5 . .
Si4 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si4 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si4 C14 H14A 109.5 . .
Si4 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si4 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si4 C15 H15A 109.5 . .
Si4 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si4 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si5 C16 H16A 109.5 . .
Si5 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si5 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si5 C17 H17A 109.5 . .
Si5 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si5 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si5 C18 H18A 109.5 . .
Si5 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si5 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si6 C19 H19A 109.5 . .
Si6 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si6 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si6 C20 H20A 109.5 . .
Si6 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si6 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si6 C21 H21A 109.5 . .
Si6 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si6 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C22A C23A 1.444(7) .
C22A C22A 1.501(8) 2_666
C22A H22A 0.9900 .
C22A H22B 0.9900 .
C23A C24A 1.486(7) .
C23A H23A 0.9900 .
C23A H23B 0.9900 .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C22B C23B 1.449(9) .
C22B C22B 1.492(11) 2_666
C22B H22C 0.9900 .
C22B H22D 0.9900 .
C23B C24B 1.492(10) .
C23B H23C 0.9900 .
C23B H23D 0.9900 .
C24B H24D 0.9800 .
C24B H24E 0.9800 .
C24B H24F 0.9800 .
N1 C3 1.3251(15) .
N1 N2 1.4015(13) .
N2 C1 1.3619(14) .
N2 Si1 1.7913(10) .
N3 N4 1.2745(13) .
N3 C2 1.3932(14) .
N4 Si3 1.7898(10) .
N5 C3 1.3844(14) .
N5 N6 1.4570(12) .
N5 Si4 1.7635(10) .
N6 Si5 1.7435(10) .
N6 Si6 1.7554(10) .
Si1 C4 1.8401(16) .
Si1 C5 1.8481(16) .
Si1 C6 1.8505(16) .
Si2 C8 1.8607(13) .
Si2 C9 1.8726(14) .
Si2 C7 1.8746(15) .
Si2 C1 1.8989(11) .
Si3 C11 1.8531(16) .
Si3 C10 1.8536(15) .
Si3 C12 1.8572(16) .
Si4 C14 1.8608(14) .
Si4 C13 1.8645(14) .
Si4 C15 1.8673(13) .
Si5 C16 1.8533(15) .
Si5 C17 1.8656(16) .
Si5 C18 1.8659(18) .
Si6 C19 1.8548(14) .
Si6 C21 1.8639(18) .
Si6 C20 1.8678(14) .
C1 C2 1.3923(16) .
C2 C3 1.4326(14) .
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 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 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 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 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
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 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
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
C22A C22A C23A C24A -177.7(8) 2_666
C22B C22B C23B C24B -171(2) 2_666
C3 N1 N2 C1 -0.35(12) .
C3 N1 N2 Si1 165.25(7) .
C2 N3 N4 Si3 -179.96(7) .
C3 N5 N6 Si5 91.90(10) .
Si4 N5 N6 Si5 -93.70(8) .
C3 N5 N6 Si6 -83.50(10) .
Si4 N5 N6 Si6 90.91(9) .
C1 N2 Si1 C4 136.40(12) .
N1 N2 Si1 C4 -25.15(11) .
C1 N2 Si1 C5 -103.41(12) .
N1 N2 Si1 C5 95.04(9) .
C1 N2 Si1 C6 20.48(13) .
N1 N2 Si1 C6 -141.07(9) .
N3 N4 Si3 C11 77.17(10) .
N3 N4 Si3 C10 -164.89(10) .
N3 N4 Si3 C12 -44.14(11) .
C3 N5 Si4 C14 -85.25(11) .
N6 N5 Si4 C14 101.06(9) .
C3 N5 Si4 C13 38.72(11) .
N6 N5 Si4 C13 -134.97(8) .
C3 N5 Si4 C15 157.04(10) .
N6 N5 Si4 C15 -16.66(10) .
N5 N6 Si5 C16 -31.40(11) .
Si6 N6 Si5 C16 143.46(10) .
N5 N6 Si5 C17 90.65(10) .
Si6 N6 Si5 C17 -94.49(9) .
N5 N6 Si5 C18 -151.01(9) .
Si6 N6 Si5 C18 23.86(10) .
N5 N6 Si6 C19 -11.53(10) .
Si5 N6 Si6 C19 173.82(8) .
N5 N6 Si6 C21 108.54(10) .
Si5 N6 Si6 C21 -66.11(10) .
N5 N6 Si6 C20 -132.53(9) .
Si5 N6 Si6 C20 52.82(10) .
N1 N2 C1 C2 2.95(12) .
Si1 N2 C1 C2 -158.74(9) .
N1 N2 C1 Si2 -161.84(8) .
Si1 N2 C1 Si2 36.47(15) .
C8 Si2 C1 N2 -103.59(11) .
C9 Si2 C1 N2 129.92(10) .
C7 Si2 C1 N2 18.30(12) .
C8 Si2 C1 C2 94.23(10) .
C9 Si2 C1 C2 -32.25(11) .
C7 Si2 C1 C2 -143.88(10) .
N2 C1 C2 N3 169.41(10) .
Si2 C1 C2 N3 -25.06(16) .
N2 C1 C2 C3 -4.20(11) .
Si2 C1 C2 C3 161.33(8) .
N4 N3 C2 C1 -10.10(16) .
N4 N3 C2 C3 162.44(10) .
N2 N1 C3 N5 178.61(9) .
N2 N1 C3 C2 -2.38(12) .
N6 N5 C3 N1 16.65(14) .
Si4 N5 C3 N1 -157.27(9) .
N6 N5 C3 C2 -162.17(10) .
Si4 N5 C3 C2 23.92(16) .
C1 C2 C3 N1 4.22(12) .
N3 C2 C3 N1 -169.65(10) .
C1 C2 C3 N5 -176.85(10) .
N3 C2 C3 N5 9.28(18) .
