#------------------------------------------------------------------------------
#$Date: 2016-12-23 13:38:47 +0200 (Fri, 23 Dec 2016) $
#$Revision: 189363 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/13/7031300.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_7031300
loop_
_publ_author_name
'Karmel, Isabell S. R.'
'Elkin, Tatyana'
'Fridman, Natalia'
'Eisen, Moris S.'
_publ_section_title
;
 Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity
 towards oxygen containing substrates.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11376
_journal_page_last               11387
_journal_paper_doi               10.1039/c4dt01361a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C62 H84 Cl2 N8 O4 Si2 Th2'
_chemical_formula_weight         1596.53
_chemical_name_common            Moris-350(Sara)
_chemical_name_systematic
; 
 ? 
;
_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                97.368(2)
_cell_angle_beta                 104.184(2)
_cell_angle_gamma                98.750(2)
_cell_formula_units_Z            1
_cell_length_a                   10.9649(6)
_cell_length_b                   12.6366(7)
_cell_length_c                   12.9693(7)
_cell_measurement_reflns_used    203
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      23.882
_cell_measurement_theta_min      2.095
_cell_volume                     1696.07(16)
_computing_cell_refinement       'APEX2 v2011.2-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2011.3.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'Mercury  2.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      250(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX2 DUO'
_diffrn_measurement_method       ω-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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            62495
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.64
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.542
_exptl_absorpt_correction_T_max  0.497
_exptl_absorpt_correction_T_min  0.407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             786
_exptl_crystal_size_max          0.304
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.154
_refine_diff_density_max         3.228
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5981
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0354
_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)+(0.0588P)²+12.2244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                5633
_reflns_number_total             5981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01361a2.cif
_cod_data_source_block           Moris-350
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-23

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031298--7031301.cif.
;
_cod_database_code               7031300
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
Th1 Th 0.40562(2) 1.012908(18) 0.140182(18) 0.02963(10) Uani 1 1 d .
Cl1 Cl 0.54793(17) 0.88554(14) 0.03469(14) 0.0397(4) Uani 1 1 d .
Si1 Si 0.27919(18) 0.89920(16) 0.31337(16) 0.0368(4) Uani 1 1 d .
O1 O 0.5480(5) 1.0883(4) 0.2273(4) 0.0441(12) Uani 1 1 d .
O2 O 0.2690(5) 0.9350(4) 0.0479(4) 0.0365(10) Uani 1 1 d .
N1 N 0.2741(5) 1.1536(4) 0.1757(5) 0.0331(12) Uani 1 1 d .
N2 N 0.2945(6) 1.0213(5) 0.2717(5) 0.0360(12) Uani 1 1 d .
N3 N 0.4071(5) 0.8641(4) 0.2638(5) 0.0330(12) Uani 1 1 d .
N4 N 0.5780(7) 0.7823(6) 0.2593(7) 0.059(2) Uani 1 1 d .
C1 C 0.2242(6) 1.0949(5) 0.2361(5) 0.0316(14) Uani 1 1 d .
C2 C 0.2306(7) 1.2499(6) 0.1348(6) 0.0404(16) Uani 1 1 d .
C3 C 0.3512(8) 1.3236(6) 0.1284(7) 0.0511(19) Uani 1 1 d .
H3A H 0.4090 1.3473 0.2002 0.077 Uiso 1 1 calc R
H3B H 0.3282 1.3864 0.0981 0.077 Uiso 1 1 calc R
H3C H 0.3931 1.2839 0.0827 0.077 Uiso 1 1 calc R
C4 C 0.1365(9) 1.2143(8) 0.0231(7) 0.060(2) Uani 1 1 d .
H4A H 0.1751 1.1726 -0.0239 0.090 Uiso 1 1 calc R
H4B H 0.1155 1.2779 -0.0066 0.090 Uiso 1 1 calc R
H4C H 0.0591 1.1696 0.0289 0.090 Uiso 1 1 calc R
C5 C 0.1708(10) 1.3145(7) 0.2107(9) 0.065(3) Uani 1 1 d .
H5A H 0.0880 1.2733 0.2091 0.098 Uiso 1 1 calc R
H5B H 0.1599 1.3833 0.1874 0.098 Uiso 1 1 calc R
H5C H 0.2266 1.3281 0.2836 0.098 Uiso 1 1 calc R
C6 C 0.0996(7) 1.0937(6) 0.2647(6) 0.0362(15) Uani 1 1 d .
C7 C 0.0989(8) 1.1157(7) 0.3720(6) 0.051(2) Uani 1 1 d .
H7 H 0.1768 1.1364 0.4263 0.061 Uiso 1 1 calc R
C8 C -0.0170(9) 1.1071(10) 0.3994(7) 0.067(3) Uani 1 1 d .
H8 H -0.0169 1.1219 0.4724 0.081 Uiso 1 1 calc R
C9 C -0.1311(9) 1.0773(9) 0.3208(8) 0.063(2) Uani 1 1 d .
H9 H -0.2091 1.0742 0.3394 0.075 Uiso 1 1 calc R
C10 C -0.1305(7) 1.0522(8) 0.2152(7) 0.052(2) Uani 1 1 d .
H10 H -0.2085 1.0288 0.1614 0.062 Uiso 1 1 calc R
C11 C -0.0164(7) 1.0607(6) 0.1868(6) 0.0414(16) Uani 1 1 d .
H11 H -0.0176 1.0438 0.1138 0.050 Uiso 1 1 calc R
C12 C 0.1249(9) 0.8063(8) 0.2412(10) 0.072(3) Uani 1 1 d .
H12A H 0.0546 0.8371 0.2575 0.107 Uiso 1 1 calc R
H12B H 0.1244 0.7363 0.2645 0.107 Uiso 1 1 calc R
H12C H 0.1153 0.7970 0.1641 0.107 Uiso 1 1 calc R
C13 C 0.2997(10) 0.9156(8) 0.4616(7) 0.062(3) Uani 1 1 d .
H13A H 0.3850 0.9562 0.4992 0.094 Uiso 1 1 calc R
H13B H 0.2887 0.8446 0.4826 0.094 Uiso 1 1 calc R
H13C H 0.2363 0.9546 0.4802 0.094 Uiso 1 1 calc R
C14 C 0.4766(6) 0.7936(6) 0.2955(6) 0.0352(14) Uani 1 1 d .
C15 C 0.4481(7) 0.7289(5) 0.3788(6) 0.0348(14) Uani 1 1 d .
C16 C 0.3538(8) 0.6363(7) 0.3505(7) 0.0493(19) Uani 1 1 d .
H16 H 0.3074 0.6114 0.2780 0.059 Uiso 1 1 calc R
C17 C 0.3283(11) 0.5802(8) 0.4314(9) 0.069(3) Uani 1 1 d .
H17 H 0.2664 0.5158 0.4135 0.082 Uiso 1 1 calc R
C18 C 0.3942(12) 0.6198(9) 0.5373(8) 0.071(3) Uani 1 1 d .
H18 H 0.3762 0.5821 0.5915 0.085 Uiso 1 1 calc R
C19 C 0.4852(10) 0.7124(8) 0.5656(7) 0.061(2) Uani 1 1 d .
H19 H 0.5282 0.7390 0.6386 0.074 Uiso 1 1 calc R
C20 C 0.5138(8) 0.7670(6) 0.4866(6) 0.0451(17) Uani 1 1 d .
H20 H 0.5778 0.8301 0.5055 0.054 Uiso 1 1 calc R
C21 C 0.6571(8) 0.6947(7) 0.2595(7) 0.049(2) Uani 1 1 d .
C22 C 0.7027(16) 0.6626(14) 0.3676(11) 0.126(7) Uani 1 1 d .
H22A H 0.6389 0.6049 0.3765 0.189 Uiso 1 1 calc R
H22B H 0.7159 0.7249 0.4240 0.189 Uiso 1 1 calc R
H22C H 0.7828 0.6373 0.3723 0.189 Uiso 1 1 calc R
C23 C 0.7711(14) 0.7417(13) 0.2276(18) 0.151(9) Uani 1 1 d .
H23A H 0.8248 0.6879 0.2232 0.226 Uiso 1 1 calc R
H23B H 0.8191 0.8047 0.2808 0.226 Uiso 1 1 calc R
H23C H 0.7443 0.7634 0.1577 0.226 Uiso 1 1 calc R
C24 C 0.5829(15) 0.6004(13) 0.1815(17) 0.158(9) Uani 1 1 d .
H24A H 0.6381 0.5688 0.1433 0.237 Uiso 1 1 calc R
H24B H 0.5146 0.6220 0.1304 0.237 Uiso 1 1 calc R
H24C H 0.5463 0.5471 0.2186 0.237 Uiso 1 1 calc R
C25 C 0.1753(13) 0.5975(12) 0.8931(14) 0.183(11) Uani 1 1 d GD
C26 C 0.2318(11) 0.6751(8) 0.8436(18) 0.138(8) Uani 1 1 d G
H26 H 0.2959 0.7334 0.8855 0.165 Uiso 1 1 calc R
C27 C 0.1937(16) 0.6667(12) 0.7319(19) 0.199(14) Uani 1 1 d G
H27 H 0.2319 0.7192 0.6984 0.238 Uiso 1 1 calc R
C28 C 0.0990(17) 0.5806(16) 0.6699(14) 0.208(15) Uani 1 1 d G
H28 H 0.0731 0.5749 0.5944 0.250 Uiso 1 1 calc R
C29 C 0.0424(10) 0.5030(10) 0.7194(17) 0.197(15) Uani 1 1 d G
H29 H -0.0217 0.4447 0.6775 0.236 Uiso 1 1 calc R
C30 C 0.0806(12) 0.5114(8) 0.8311(17) 0.155(11) Uani 1 1 d G
H30 H 0.0423 0.4589 0.8646 0.185 Uiso 1 1 calc R
C31 C 0.212(3) 0.610(3) 1.0067(17) 0.234(17) Uani 1 1 d D
H31A H 0.1641 0.5498 1.0290 0.351 Uiso 1 1 calc R
H31B H 0.1933 0.6778 1.0374 0.351 Uiso 1 1 calc R
H31C H 0.3028 0.6103 1.0318 0.351 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Th Th -7.2400 8.8979 '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
O2 Th1 O1 176.4(2) . .
O2 Th1 N2 89.7(2) . .
O1 Th1 N2 93.7(2) . .
O2 Th1 N1 88.4(2) . .
O1 Th1 N1 94.5(2) . .
N2 Th1 N1 54.22(19) . .
O2 Th1 N3 90.2(2) . .
O1 Th1 N3 90.6(2) . .
N2 Th1 N3 60.26(18) . .
N1 Th1 N3 114.46(17) . .
O2 Th1 C1 83.0(2) . .
O1 Th1 C1 100.5(2) . .
N2 Th1 C1 28.08(19) . .
N1 Th1 C1 27.29(18) . .
N3 Th1 C1 87.65(17) . .
O2 Th1 Cl1 86.68(15) . .
O1 Th1 Cl1 89.94(16) . .
N2 Th1 Cl1 144.68(14) . .
N1 Th1 Cl1 160.31(13) . .
N3 Th1 Cl1 84.60(12) . .
C1 Th1 Cl1 167.10(15) . .
O2 Th1 Cl1 86.70(17) . 2_675
O1 Th1 Cl1 91.23(19) . 2_675
N2 Th1 Cl1 142.33(14) . 2_675
N1 Th1 Cl1 88.18(13) . 2_675
N3 Th1 Cl1 157.06(12) . 2_675
C1 Th1 Cl1 114.44(13) . 2_675
Cl1 Th1 Cl1 72.53(5) . 2_675
O2 Th1 Si1 82.47(17) . .
O1 Th1 Si1 100.02(18) . .
N2 Th1 Si1 29.39(14) . .
N1 Th1 Si1 82.63(13) . .
N3 Th1 Si1 32.52(12) . .
C1 Th1 Si1 55.44(14) . .
Cl1 Th1 Si1 115.50(5) . .
Cl1 Th1 Si1 165.96(5) 2_675 .
Th1 Cl1 Th1 107.47(5) . 2_675
N2 Si1 N3 92.1(3) . .
N2 Si1 C12 113.2(4) . .
N3 Si1 C12 111.5(4) . .
N2 Si1 C13 111.5(4) . .
N3 Si1 C13 117.9(4) . .
C12 Si1 C13 109.7(5) . .
N2 Si1 Th1 42.30(19) . .
N3 Si1 Th1 52.76(18) . .
C12 Si1 Th1 110.1(4) . .
C13 Si1 Th1 139.2(4) . .
C1 N1 C2 126.9(6) . .
C1 N1 Th1 90.3(4) . .
C2 N1 Th1 141.2(4) . .
C1 N2 Si1 141.1(5) . .
C1 N2 Th1 97.7(4) . .
Si1 N2 Th1 108.3(3) . .
C14 N3 Si1 126.5(5) . .
C14 N3 Th1 138.4(4) . .
Si1 N3 Th1 94.7(2) . .
C14 N4 C21 132.9(7) . .
N1 C1 N2 113.1(6) . .
N1 C1 C6 129.4(6) . .
N2 C1 C6 117.4(6) . .
N1 C1 Th1 62.4(3) . .
N2 C1 Th1 54.2(3) . .
C6 C1 Th1 157.0(5) . .
N1 C2 C3 105.6(6) . .
N1 C2 C4 109.7(6) . .
C3 C2 C4 110.4(7) . .
N1 C2 C5 113.2(6) . .
C3 C2 C5 107.5(7) . .
C4 C2 C5 110.3(7) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C11 118.6(7) . .
C7 C6 C1 119.9(6) . .
C11 C6 C1 121.2(6) . .
C6 C7 C8 120.1(8) . .
C6 C7 H7 119.9 . .
C8 C7 H7 119.9 . .
C9 C8 C7 120.5(8) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C8 C9 C10 119.5(8) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C9 C10 C11 120.7(8) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C10 C11 C6 120.7(7) . .
C10 C11 H11 119.7 . .
C6 C11 H11 119.7 . .
Si1 C12 H12A 109.5 . .
Si1 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N3 C14 N4 120.6(6) . .
N3 C14 C15 120.3(6) . .
N4 C14 C15 119.0(6) . .
C16 C15 C20 120.2(7) . .
C16 C15 C14 121.0(7) . .
C20 C15 C14 118.6(7) . .
C15 C16 C17 119.0(8) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
C18 C17 C16 119.6(9) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C19 C18 C17 121.4(8) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C18 C19 C20 119.6(9) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C20 C15 120.1(8) . .
C19 C20 H20 120.0 . .
C15 C20 H20 120.0 . .
C24 C21 C23 110.9(13) . .
C24 C21 C22 109.9(13) . .
C23 C21 C22 107.7(12) . .
C24 C21 N4 108.8(9) . .
C23 C21 N4 105.3(7) . .
C22 C21 N4 114.2(8) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 120.0 . .
C26 C25 C31 119.1(19) . .
C30 C25 C31 120.8(19) . .
C27 C26 C25 120.0 . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 120.0 . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
C25 C31 H31A 109.5 . .
C25 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C25 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
Th1 O2 1.737(5) .
Th1 O1 1.741(5) .
Th1 N2 2.327(5) .
Th1 N1 2.520(5) .
Th1 N3 2.623(5) .
Th1 C1 2.844(6) .
Th1 Cl1 2.8536(16) .
Th1 Cl1 2.8572(16) 2_675
Th1 Si1 3.2831(18) .
Cl1 Th1 2.8572(16) 2_675
Si1 N2 1.697(6) .
Si1 N3 1.771(5) .
Si1 C12 1.858(10) .
Si1 C13 1.860(8) .
N1 C1 1.304(9) .
N1 C2 1.486(8) .
N2 C1 1.351(8) .
N3 C14 1.300(9) .
N4 C14 1.328(9) .
N4 C21 1.506(9) .
C1 C6 1.498(9) .
C2 C3 1.523(11) .
C2 C4 1.524(11) .
C2 C5 1.530(11) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 H3C 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C4 H4C 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 H5C 0.9700 .
C6 C7 1.385(10) .
C6 C11 1.384(10) .
C7 C8 1.394(12) .
C7 H7 0.9400 .
C8 C9 1.371(13) .
C8 H8 0.9400 .
C9 C10 1.368(13) .
C9 H9 0.9400 .
C10 C11 1.381(11) .
C10 H10 0.9400 .
C11 H11 0.9400 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 H12C 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 H13C 0.9700 .
C14 C15 1.500(9) .
C15 C16 1.381(11) .
C15 C20 1.390(10) .
C16 C17 1.399(12) .
C16 H16 0.9400 .
C17 C18 1.373(16) .
C17 H17 0.9400 .
C18 C19 1.362(15) .
C18 H18 0.9400 .
C19 C20 1.377(12) .
C19 H19 0.9400 .
C20 H20 0.9400 .
C21 C24 1.449(17) .
C21 C23 1.476(14) .
C21 C22 1.497(15) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 H22C 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25 C26 1.3900 .
C25 C30 1.3900 .
C25 C31 1.410(16) .
C26 C27 1.3900 .
C26 H26 0.9400 .
C27 C28 1.3900 .
C27 H27 0.9400 .
C28 C29 1.3900 .
C28 H28 0.9400 .
C29 C30 1.3900 .
C29 H29 0.9400 .
C30 H30 0.9400 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
