#------------------------------------------------------------------------------
#$Date: 2019-11-28 13:52:44 +0200 (Thu, 28 Nov 2019) $
#$Revision: 243900 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/25/7702539.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_7702539
loop_
_publ_author_name
'Renner, Patrick'
'Galka, Christian H.'
'Gade, Lutz H.'
'Radojevic, Sanja'
'McPartlin, Mary'
_publ_section_title
;
 Synthesis and structural characterization of a novel C3-chiral triamine
 and its trilithium triamide
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              964
_journal_paper_doi               10.1039/b100719j
_journal_year                    2001
_chemical_formula_sum            'C37 H55 N3 Si3'
_chemical_formula_weight         626.11
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   18.392(4)
_cell_length_b                   18.392(4)
_cell_length_c                   19.655(5)
_cell_measurement_temperature    301(2)
_cell_volume                     5758(2)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      301(2)
_diffrn_detector_area_resol_mean -
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'Theta/2 theta'
_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  0.0868
_diffrn_reflns_av_sigmaI/netI    0.1360
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8267
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.151
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.37
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.156
_refine_diff_density_rms         0.032
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.1(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         3705
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.2069
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.769
_refine_ls_shift/su_mean         0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0318P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                1233
_reflns_number_total             3705
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b100719j.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P6(3)
_cod_database_code               7702539
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.97607(15) 1.08504(14) -0.15093(12) 0.0760(7) Uani 1 1 d D . .
Si2 Si 0.43378(17) 0.66849(17) 0.21436(12) 0.0891(9) Uani 1 1 d D . .
Si3 Si 0.42207(16) 0.64810(16) -0.06812(13) 0.0855(9) Uani 1 1 d D . .
N1 N 0.9463(4) 1.0654(4) -0.0672(2) 0.0758(19) Uani 1 1 d D A .
H1N H 0.9317 1.0175 -0.0473 0.091 Uiso 1 1 d . . .
N2 N 0.4474(4) 0.6974(4) 0.2984(2) 0.085(2) Uani 1 1 d D . .
H2N H 0.4298 0.7401 0.3178 0.103 Uiso 1 1 d . . .
N3 N 0.4032(4) 0.6167(4) -0.1514(3) 0.092(2) Uani 1 1 d D C .
H3N H 0.3719 0.6180 -0.1711 0.111 Uiso 1 1 d . . .
C1 C 1.0000 1.0000 -0.1756(7) 0.080(4) Uani 1 3 d SD . .
H1 H 1.0000 1.0000 -0.2255 0.096 Uiso 1 3 calc SR . .
C2 C 1.0673(4) 1.1959(3) -0.1568(4) 0.086(3) Uani 1 1 d D . .
H2A H 1.0493 1.2345 -0.1434 0.129 Uiso 1 1 calc R . .
H2B H 1.0876 1.2074 -0.2028 0.129 Uiso 1 1 calc R . .
H2C H 1.1116 1.2020 -0.1272 0.129 Uiso 1 1 calc R . .
C3 C 0.8926(5) 1.0829(6) -0.2087(4) 0.106(4) Uani 1 1 d D . .
H3A H 0.8812 1.1265 -0.1955 0.159 Uiso 1 1 calc R . .
H3B H 0.8422 1.0294 -0.2050 0.159 Uiso 1 1 calc R . .
H3C H 0.9122 1.0917 -0.2549 0.159 Uiso 1 1 calc R . .
C4 C 0.3333 0.6667 0.1911(6) 0.086(5) Uani 1 3 d SD . .
H4 H 0.3333 0.6667 0.1413 0.103 Uiso 1 3 calc SR . .
C5 C 0.4304(5) 0.5646(4) 0.2085(5) 0.107(3) Uani 1 1 d D . .
H5A H 0.4840 0.5718 0.2210 0.161 Uiso 1 1 calc R . .
H5B H 0.4172 0.5439 0.1626 0.161 Uiso 1 1 calc R . .
H5C H 0.3881 0.5251 0.2387 0.161 Uiso 1 1 calc R . .
C6 C 0.5230(5) 0.7421(5) 0.1567(4) 0.116(4) Uani 1 1 d D . .
H6A H 0.5273 0.7963 0.1568 0.173 Uiso 1 1 calc R . .
H6B H 0.5123 0.7200 0.1113 0.173 Uiso 1 1 calc R . .
H6C H 0.5746 0.7472 0.1729 0.173 Uiso 1 1 calc R . .
C7 C 0.3333 0.6667 -0.0434(6) 0.080(5) Uani 1 3 d SD . .
H7 H 0.3333 0.6667 0.0065 0.096 Uiso 1 3 calc SR . .
C8 C 0.4236(5) 0.5662(4) -0.0108(4) 0.104(3) Uani 1 1 d D . .
H8A H 0.3696 0.5161 -0.0116 0.157 Uiso 1 1 calc R . .
H8B H 0.4366 0.5874 0.0349 0.157 Uiso 1 1 calc R . .
H8C H 0.4655 0.5536 -0.0265 0.157 Uiso 1 1 calc R . .
C9 C 0.5310(4) 0.7424(4) -0.0617(4) 0.103(3) Uani 1 1 d D . .
H9A H 0.5715 0.7270 -0.0758 0.154 Uiso 1 1 calc R . .
H9B H 0.5419 0.7618 -0.0155 0.154 Uiso 1 1 calc R . .
H9C H 0.5350 0.7863 -0.0907 0.154 Uiso 1 1 calc R . .
C10 C 0.9283(6) 1.1193(5) -0.0222(4) 0.079(3) Uani 1 1 d D . .
H10A H 0.9139 1.1504 -0.0549 0.094 Uiso 0.336(13) 1 calc PR A 1
H10B H 0.9265 1.1634 -0.0489 0.094 Uiso 0.664(13) 1 calc PR A 2
C11' C 0.996(2) 1.191(2) 0.0232(18) 0.096(5) Uiso 0.336(13) 1 d P A 1
H11A H 1.0496 1.1977 0.0104 0.115 Uiso 0.336(13) 1 calc PR A 1
H11B H 0.9966 1.2423 0.0101 0.115 Uiso 0.336(13) 1 calc PR A 1
C11 C 1.0007(12) 1.1586(12) 0.0297(10) 0.096(5) Uiso 0.664(13) 1 d P A 2
H11C H 1.0508 1.1686 0.0054 0.115 Uiso 0.664(13) 1 calc PR A 2
H11D H 1.0084 1.2134 0.0409 0.115 Uiso 0.664(13) 1 calc PR A 2
C12' C 0.9917(18) 1.187(2) 0.0939(14) 0.098(4) Uiso 0.336(13) 1 d P A 1
H12A H 0.9862 1.2340 0.1100 0.117 Uiso 0.336(13) 1 calc PR A 1
H12B H 1.0450 1.1956 0.1106 0.117 Uiso 0.336(13) 1 calc PR A 1
C12 C 1.0012(8) 1.1260(10) 0.0835(8) 0.098(4) Uiso 0.664(13) 1 d P A 2
H12C H 1.0512 1.1637 0.1089 0.117 Uiso 0.664(13) 1 calc PR A 2
H12D H 1.0025 1.0748 0.0747 0.117 Uiso 0.664(13) 1 calc PR A 2
C13 C 0.9196(8) 1.1046(7) 0.1277(5) 0.134(4) Uani 1 1 d . . .
H13A H 0.9401 1.0658 0.1352 0.160 Uiso 0.336(13) 1 calc PR A 1
H13B H 0.9060 1.1186 0.1717 0.160 Uiso 0.336(13) 1 calc PR A 1
H13C H 0.9255 1.1561 0.1463 0.160 Uiso 0.664(13) 1 calc PR A 2
H13D H 0.9151 1.0685 0.1654 0.160 Uiso 0.664(13) 1 calc PR A 2
C14 C 0.8392(8) 1.0606(7) 0.0846(7) 0.100(4) Uani 1 1 d . A .
C15 C 0.8469(7) 1.0685(6) 0.0159(6) 0.078(3) Uani 1 1 d . A .
C16 C 0.7716(8) 1.0269(7) -0.0232(5) 0.108(4) Uani 1 1 d . . .
H16 H 0.7747 1.0327 -0.0703 0.129 Uiso 1 1 calc R A .
C17 C 0.6933(9) 0.9776(8) 0.0072(9) 0.137(5) Uani 1 1 d . A .
H17 H 0.6449 0.9505 -0.0191 0.164 Uiso 1 1 calc R . .
C18 C 0.6895(10) 0.9703(10) 0.0767(11) 0.150(6) Uani 1 1 d . . .
H18 H 0.6379 0.9383 0.0981 0.180 Uiso 1 1 calc R A .
C19 C 0.7623(11) 1.0103(9) 0.1150(7) 0.142(5) Uani 1 1 d . A .
H19 H 0.7593 1.0032 0.1620 0.170 Uiso 1 1 calc R . .
C20 C 0.5197(5) 0.7091(6) 0.3406(5) 0.081(3) Uani 1 1 d D B .
H20 H 0.5628 0.7109 0.3101 0.097 Uiso 1 1 calc R . .
C21 C 0.4940(7) 0.6359(6) 0.3910(6) 0.131(4) Uani 1 1 d . . .
H21A H 0.4334 0.6031 0.3868 0.157 Uiso 0.258(16) 1 calc PR B 3
H21B H 0.5149 0.6020 0.3703 0.157 Uiso 0.258(16) 1 calc PR B 3
H21C H 0.4572 0.5834 0.3680 0.157 Uiso 0.742(16) 1 calc PR B 4
H21D H 0.5438 0.6346 0.4054 0.157 Uiso 0.742(16) 1 calc PR B 4
C22' C 0.508(3) 0.634(2) 0.456(2) 0.091(5) Uiso 0.258(16) 1 d P B 3
H22A H 0.5602 0.6342 0.4628 0.109 Uiso 0.258(16) 1 calc PR B 3
H22B H 0.4628 0.5828 0.4760 0.109 Uiso 0.258(16) 1 calc PR B 3
C22 C 0.4513(9) 0.6432(8) 0.4507(7) 0.091(5) Uiso 0.742(16) 1 d P B 4
H22C H 0.4042 0.6496 0.4366 0.109 Uiso 0.742(16) 1 calc PR B 4
H22D H 0.4298 0.5927 0.4780 0.109 Uiso 0.742(16) 1 calc PR B 4
C23 C 0.5121(7) 0.7186(7) 0.4923(5) 0.112(4) Uani 1 1 d . . .
H23A H 0.4556 0.7052 0.5043 0.135 Uiso 0.258(16) 1 calc PR B 3
H23B H 0.5441 0.7309 0.5341 0.135 Uiso 0.258(16) 1 calc PR B 3
H23C H 0.5559 0.7094 0.5104 0.135 Uiso 0.742(16) 1 calc PR B 4
H23D H 0.4828 0.7261 0.5303 0.135 Uiso 0.742(16) 1 calc PR B 4
C24 C 0.5513(6) 0.7973(8) 0.4481(8) 0.102(4) Uani 1 1 d . B .
C25 C 0.5569(5) 0.7924(7) 0.3783(7) 0.078(3) Uani 1 1 d . . .
C26 C 0.5954(7) 0.8678(9) 0.3412(6) 0.103(3) Uani 1 1 d . B .
H26 H 0.5998 0.8652 0.2943 0.123 Uiso 1 1 calc R . .
C27 C 0.6270(8) 0.9456(11) 0.3714(11) 0.138(7) Uani 1 1 d . . .
H27 H 0.6525 0.9948 0.3460 0.166 Uiso 1 1 calc R B .
C28 C 0.6190(9) 0.9467(11) 0.4411(12) 0.150(8) Uani 1 1 d . B .
H28 H 0.6377 0.9980 0.4629 0.180 Uiso 1 1 calc R . .
C29 C 0.5842(8) 0.8746(12) 0.4794(7) 0.130(5) Uani 1 1 d . . .
H29 H 0.5828 0.8779 0.5265 0.156 Uiso 1 1 calc R B .
C30 C 0.4604(6) 0.6029(7) -0.1957(5) 0.091(3) Uani 1 1 d D . .
H30A H 0.4912 0.5902 -0.1614 0.110 Uiso 0.422(14) 1 calc PR C 5
H30B H 0.5063 0.6052 -0.1686 0.110 Uiso 0.578(14) 1 calc PR C 6
C31' C 0.5336(17) 0.6783(17) -0.2316(13) 0.107(6) Uiso 0.422(14) 1 d P C 5
H31A H 0.5286 0.7279 -0.2254 0.128 Uiso 0.422(14) 1 calc PR C 5
H31B H 0.5865 0.6892 -0.2120 0.128 Uiso 0.422(14) 1 calc PR C 5
C31 C 0.4977(17) 0.6743(13) -0.2535(13) 0.107(6) Uiso 0.578(14) 1 d P C 6
H31C H 0.5135 0.7271 -0.2310 0.128 Uiso 0.578(14) 1 calc PR C 6
H31D H 0.5492 0.6779 -0.2696 0.128 Uiso 0.578(14) 1 calc PR C 6
C32' C 0.5318(19) 0.6579(17) -0.3124(16) 0.143(7) Uiso 0.422(14) 1 d P C 5
H32A H 0.5415 0.7080 -0.3365 0.171 Uiso 0.422(14) 1 calc PR C 5
H32B H 0.5802 0.6515 -0.3211 0.171 Uiso 0.422(14) 1 calc PR C 5
C32 C 0.4636(14) 0.6718(13) -0.2964(13) 0.143(7) Uiso 0.578(14) 1 d P C 6
H32C H 0.4917 0.7243 -0.3214 0.171 Uiso 0.578(14) 1 calc PR C 6
H32D H 0.4077 0.6600 -0.2842 0.171 Uiso 0.578(14) 1 calc PR C 6
C33 C 0.4597(10) 0.5866(11) -0.3458(6) 0.203(7) Uani 1 1 d . . .
H33A H 0.4798 0.5697 -0.3850 0.244 Uiso 0.422(14) 1 calc PR C 5
H33B H 0.4217 0.6049 -0.3622 0.244 Uiso 0.422(14) 1 calc PR C 5
H33C H 0.4305 0.5794 -0.3886 0.244 Uiso 0.578(14) 1 calc PR C 6
H33D H 0.5157 0.5963 -0.3551 0.244 Uiso 0.578(14) 1 calc PR C 6
C34 C 0.4110(9) 0.5103(11) -0.2994(9) 0.129(5) Uani 1 1 d . C .
C35 C 0.4120(7) 0.5179(8) -0.2311(8) 0.091(3) Uani 1 1 d . C .
C36 C 0.3694(8) 0.4455(11) -0.1917(6) 0.121(4) Uani 1 1 d . . .
H36 H 0.3711 0.4493 -0.1444 0.145 Uiso 1 1 calc R C .
C37 C 0.3239(8) 0.3670(9) -0.2235(11) 0.143(6) Uani 1 1 d . C .
H37 H 0.2921 0.3193 -0.1973 0.172 Uiso 1 1 calc R . .
C38 C 0.3257(13) 0.3598(15) -0.2921(12) 0.192(10) Uani 1 1 d . . .
H38 H 0.3010 0.3075 -0.3131 0.231 Uiso 1 1 calc R C .
C39 C 0.3648(13) 0.4311(15) -0.3283(11) 0.215(11) Uani 1 1 d . C .
H39 H 0.3607 0.4273 -0.3755 0.258 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
N1 Si1 C2 107.7(4) . .
N1 Si1 C3 113.6(4) . .
C2 Si1 C3 105.1(4) . .
N1 Si1 C1 104.7(5) . .
C2 Si1 C1 115.4(3) . .
C3 Si1 C1 110.5(4) . .
N2 Si2 C5 107.4(4) . .
N2 Si2 C4 103.2(5) . .
C5 Si2 C4 115.5(3) . .
N2 Si2 C6 114.5(4) . .
C5 Si2 C6 105.4(4) . .
C4 Si2 C6 111.0(4) . .
N3 Si3 C9 108.4(4) . .
N3 Si3 C7 105.1(5) . .
C9 Si3 C7 115.6(3) . .
N3 Si3 C8 112.4(4) . .
C9 Si3 C8 105.1(4) . .
C7 Si3 C8 110.4(4) . .
C10 N1 Si1 125.8(5) . .
C20 N2 Si2 124.2(6) . .
C30 N3 Si3 125.3(6) . .
Si1 C1 Si1 113.6(3) 2_765 3_675
Si1 C1 Si1 113.6(3) 2_765 .
Si1 C1 Si1 113.6(3) 3_675 .
Si2 C4 Si2 114.3(3) 2_665 3_565
Si2 C4 Si2 114.3(3) 2_665 .
Si2 C4 Si2 114.3(3) 3_565 .
Si3 C7 Si3 113.6(3) 2_665 3_565
Si3 C7 Si3 113.6(3) 2_665 .
Si3 C7 Si3 113.6(3) 3_565 .
N1 C10 C11 106.1(10) . .
N1 C10 C15 111.4(7) . .
C11 C10 C15 108.7(10) . .
N1 C10 C11' 123.8(16) . .
C11 C10 C11' 24.5(16) . .
C15 C10 C11' 111.3(14) . .
C12' C11' C10 122(3) . .
C12 C11 C10 124.1(17) . .
C11' C12' C13 118(3) . .
C11 C12 C13 110.8(15) . .
C12 C13 C14 111.5(10) . .
C12 C13 C12' 45.8(12) . .
C14 C13 C12' 113.5(13) . .
C15 C14 C19 121.3(12) . .
C15 C14 C13 118.0(12) . .
C19 C14 C13 120.5(13) . .
C14 C15 C16 117.2(11) . .
C14 C15 C10 125.3(11) . .
C16 C15 C10 117.5(11) . .
C17 C16 C15 121.8(11) . .
C18 C17 C16 118.5(15) . .
C19 C18 C17 120.1(16) . .
C18 C19 C14 121.0(13) . .
N2 C20 C25 109.6(7) . .
N2 C20 C21 111.7(8) . .
C25 C20 C21 110.7(9) . .
C22' C21 C22 48(2) . .
C22' C21 C20 133(2) . .
C22 C21 C20 112.4(9) . .
C21 C22' C23 108(3) . .
C23 C22 C21 109.5(11) . .
C22 C23 C24 110.1(10) . .
C22 C23 C22' 41.4(15) . .
C24 C23 C22' 114.8(16) . .
C25 C24 C29 120.0(13) . .
C25 C24 C23 121.2(12) . .
C29 C24 C23 118.7(14) . .
C24 C25 C26 117.9(12) . .
C24 C25 C20 122.5(11) . .
C26 C25 C20 119.5(12) . .
C25 C26 C27 122.9(13) . .
C28 C27 C26 116.7(18) . .
C29 C28 C27 122.1(18) . .
C28 C29 C24 120.2(15) . .
C31' C30 N3 119.4(13) . .
C31' C30 C35 120.9(12) . .
N3 C30 C35 110.0(8) . .
C31' C30 C31 27.9(13) . .
N3 C30 C31 108.9(11) . .
C35 C30 C31 107.8(12) . .
C32' C31' C30 109.4(19) . .
C32 C31 C30 122(3) . .
C33 C32' C31' 123(2) . .
C31 C32 C33 104(2) . .
C32' C33 C34 113.8(16) . .
C32' C33 C32 50.4(13) . .
C34 C33 C32 103.0(13) . .
C35 C34 C39 119.1(17) . .
C35 C34 C33 121.8(17) . .
C39 C34 C33 119.1(17) . .
C34 C35 C36 118.8(14) . .
C34 C35 C30 122.1(15) . .
C36 C35 C30 119.0(13) . .
C35 C36 C37 119.7(13) . .
C38 C37 C36 120.9(17) . .
C39 C38 C37 117(2) . .
C38 C39 C34 124(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 N1 1.716(4) .
Si1 C2 1.888(4) .
Si1 C3 1.893(5) .
Si1 C1 1.888(4) .
Si2 N2 1.716(4) .
Si2 C5 1.884(5) .
Si2 C4 1.887(3) .
Si2 C6 1.894(5) .
Si3 N3 1.713(4) .
Si3 C9 1.888(5) .
Si3 C7 1.890(3) .
Si3 C8 1.893(5) .
N1 C10 1.485(7) .
N2 C20 1.488(7) .
N3 C30 1.482(7) .
C1 Si1 1.888(4) 2_765
C1 Si1 1.888(4) 3_675
C4 Si2 1.887(3) 2_665
C4 Si2 1.887(3) 3_565
C7 Si3 1.890(3) 2_665
C7 Si3 1.890(3) 3_565
C10 C11 1.541(19) .
C10 C15 1.508(11) .
C10 C11' 1.56(4) .
C11' C12' 1.39(4) .
C11 C12 1.218(19) .
C12' C13 1.58(3) .
C12 C13 1.603(15) .
C13 C14 1.537(12) .
C14 C15 1.358(12) .
C14 C19 1.380(13) .
C15 C16 1.427(12) .
C16 C17 1.395(13) .
C17 C18 1.371(16) .
C18 C19 1.384(17) .
C20 C25 1.523(11) .
C20 C21 1.542(11) .
C21 C22' 1.31(4) .
C21 C22 1.455(16) .
C22' C23 1.68(4) .
C22 C23 1.515(14) .
C23 C24 1.525(13) .
C24 C25 1.383(13) .
C24 C29 1.380(14) .
C25 C26 1.404(12) .
C26 C27 1.381(16) .
C27 C28 1.379(18) .
C28 C29 1.373(18) .
C30 C31' 1.54(3) .
C30 C35 1.526(13) .
C30 C31 1.61(2) .
C31' C32' 1.63(4) .
C31 C32 1.04(3) .
C32' C33 1.47(3) .
C32 C33 1.82(2) .
C33 C34 1.532(16) .
C34 C35 1.348(14) .
C34 C39 1.39(2) .
C35 C36 1.394(13) .
C36 C37 1.403(15) .
C37 C38 1.356(18) .
C38 C39 1.34(2) .
