#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:26:15 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/11/4061188.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_4061188
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0496479
_journal_year                    2004
_chemical_formula_moiety         'C26 H30 S3 Si3 '
_chemical_formula_sum            'C26 H30 S3 Si3'
_chemical_formula_weight         522.96
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.296(8)
_cell_angle_beta                 104.180(4)
_cell_angle_gamma                93.11(1)
_cell_formula_units_Z            4
_cell_length_a                   11.422(2)
_cell_length_b                   15.828(3)
_cell_length_c                   17.115(2)
_cell_measurement_temperature    123.1
_cell_volume                     2800.2(7)
_exptl_crystal_density_diffrn    1.240
_cod_original_formula_sum        'C26 H30 S3 Si3 '
_cod_database_code               4061188
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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_assembly
_atom_site_disorder_group
S(1) S 0.3109 0.4036 0.4638 0.0278(6) Uani 1.00 1 d . . .
S(2) S 0.1066 0.5069 0.4434 0.0275(6) Uani 1.00 1 d . . .
S(3) S -0.1354 0.5578 0.3819 0.0277(6) Uani 1.00 1 d . . .
S(4) S 0.3390 -0.1462 0.3861 0.0289(6) Uani 1.00 1 d . . .
S(5) S 0.5942 -0.0653 0.4250 0.0305(6) Uani 1.00 1 d . . .
S(6) S 0.8147 0.0494 0.4382 0.0273(6) Uani 1.00 1 d . . .
Si(1) Si 0.4916 0.2728 0.4058 0.0304(7) Uani 1.00 1 d . . .
Si(2) Si -0.3661 0.5660 0.2436 0.0308(7) Uani 1.00 1 d . . .
Si(3) Si 0.0799 0.4042 0.2179 0.0266(6) Uani 1.00 1 d . . .
Si(4) Si 0.0691 -0.2192 0.2760 0.0275(6) Uani 1.00 1 d . . .
Si(5) Si 0.9835 0.1578 0.3746 0.0298(7) Uani 1.00 1 d . . .
Si(6) Si 0.5050 -0.0745 0.2074 0.0238(6) Uani 1.00 1 d . . .
C(1) C 0.3612 0.3373 0.3808 0.025(2) Uani 1.00 1 d . . .
C(2) C 0.2917 0.3365 0.3036 0.024(2) Uani 1.00 1 d . . .
C(3) C 0.1964 0.3902 0.3086 0.023(2) Uani 1.00 1 d . . .
C(4) C 0.1981 0.4308 0.3933 0.021(2) Uani 1.00 1 d . . .
C(5) C -0.0135 0.5048 0.3561 0.025(2) Uani 1.00 1 d . . .
C(6) C -0.0282 0.4712 0.2698 0.024(2) Uani 1.00 1 d . . .
C(7) C -0.1409 0.4935 0.2252 0.027(2) Uani 1.00 1 d . . .
C(8) C -0.2124 0.5397 0.2759 0.028(2) Uani 1.00 1 d . . .
C(9) C 0.1521 0.4659 0.1623 0.028(2) Uani 1.00 1 d . . .
C(10) C 0.1211 0.4440 0.0733 0.035(3) Uani 1.00 1 d . . .
C(11) C 0.1706 0.4962 0.0350 0.046(3) Uani 1.00 1 d . . .
C(12) C 0.2535 0.5734 0.0866 0.046(3) Uani 1.00 1 d . . .
C(13) C 0.2861 0.5968 0.1738 0.037(3) Uani 1.00 1 d . . .
C(14) C 0.2378 0.5430 0.2115 0.032(2) Uani 1.00 1 d . . .
C(15) C -0.0071 0.2906 0.1404 0.034(2) Uani 1.00 1 d . . .
C(16) C 0.0345 0.2327 0.0759 0.050(3) Uani 1.00 1 d . . .
C(17) C -0.0253 0.1473 0.0233 0.081(4) Uani 1.00 1 d . . .
C(18) C -0.1315 0.1203 0.0342 0.088(4) Uani 1.00 1 d . . .
C(19) C -0.1820 0.1715 0.0932 0.068(4) Uani 1.00 1 d . . .
C(20) C -0.1195 0.2592 0.1490 0.042(3) Uani 1.00 1 d . . .
C(21) C 0.5908 0.3435 0.5143 0.047(3) Uani 1.00 1 d . . .
C(22) C 0.5679 0.2567 0.3210 0.050(3) Uani 1.00 1 d . . .
C(23) C 0.4269 0.1659 0.4100 0.037(3) Uani 1.00 1 d . . .
C(24) C -0.3662 0.6820 0.3150 0.053(3) Uani 1.00 1 d . . .
C(25) C -0.4018 0.5573 0.1301 0.038(3) Uani 1.00 1 d . . .
C(26) C -0.4681 0.4817 0.2608 0.040(3) Uani 1.00 1 d . . .
C(27) C 0.2298 -0.1740 0.2879 0.027(2) Uani 1.00 1 d . . .
C(28) C 0.2814 -0.1526 0.2316 0.024(2) Uani 1.00 1 d . . .
C(29) C 0.4105 -0.1140 0.2653 0.021(2) Uani 1.00 1 d . . .
C(30) C 0.4512 -0.1071 0.3500 0.021(2) Uani 1.00 1 d . . .
C(31) C 0.6771 -0.0145 0.3746 0.023(2) Uani 1.00 1 d . . .
C(32) C 0.6507 -0.0157 0.2910 0.022(2) Uani 1.00 1 d . . .
C(33) C 0.7510 0.0377 0.2830 0.024(2) Uani 1.00 1 d . . .
C(34) C 0.8461 0.0767 0.3551 0.023(2) Uani 1.00 1 d . . .
C(35) C 0.4242 0.0053 0.1596 0.025(2) Uani 1.00 1 d . . .
C(36) C 0.4724 0.0403 0.1066 0.034(2) Uani 1.00 1 d . . .
C(37) C 0.4151 0.1018 0.0727 0.037(3) Uani 1.00 1 d . . .
C(38) C 0.3110 0.1312 0.0918 0.037(3) Uani 1.00 1 d . . .
C(39) C 0.2614 0.0981 0.1433 0.034(2) Uani 1.00 1 d . . .
C(40) C 0.3170 0.0382 0.1770 0.029(2) Uani 1.00 1 d . . .
C(41) C 0.5386 -0.1711 0.1179 0.023(2) Uani 1.00 1 d . . .
C(42) C 0.4421 -0.2251 0.0465 0.030(2) Uani 1.00 1 d . . .
C(43) C 0.4661 -0.2944 -0.0202 0.038(3) Uani 1.00 1 d . . .
C(44) C 0.5811 -0.3117 -0.0183 0.038(3) Uani 1.00 1 d . . .
C(45) C 0.6746 -0.2598 0.0497 0.032(2) Uani 1.00 1 d . . .
C(46) C 0.6560 -0.1899 0.1170 0.030(2) Uani 1.00 1 d . . .
C(47) C -0.0204 -0.1216 0.3036 0.043(3) Uani 1.00 1 d . . .
C(48) C -0.0035 -0.2927 0.1636 0.040(3) Uani 1.00 1 d . . .
C(49) C 0.0728 -0.2776 0.3522 0.039(3) Uani 1.00 1 d . . .
C(50) C 0.9403 0.2698 0.3940 0.046(3) Uani 1.00 1 d . . .
C(51) C 1.1003 0.1552 0.4700 0.037(2) Uani 1.00 1 d . . .
C(52) C 1.0453 0.1216 0.2778 0.034(2) Uani 1.00 1 d . . .
H(1) H 0.2985 0.3016 0.2474 0.031 Uiso 1.00 1 c R . .
H(2) H -0.1701 0.4712 0.1597 0.033 Uiso 1.00 1 c R . .
H(3) H 0.0568 0.3879 0.0345 0.047 Uiso 1.00 1 c R . .
H(4) H 0.1503 0.4815 -0.0293 0.060 Uiso 1.00 1 c R . .
H(5) H 0.2858 0.6073 0.0557 0.066 Uiso 1.00 1 c R . .
H(6) H 0.3477 0.6512 0.2100 0.044 Uiso 1.00 1 c R . .
H(7) H 0.2633 0.5615 0.2752 0.040 Uiso 1.00 1 c R . .
H(8) H 0.1171 0.2505 0.0704 0.056 Uiso 1.00 1 c R . .
H(9) H 0.0080 0.1075 -0.0229 0.087 Uiso 1.00 1 c R . .
H(10) H -0.1654 0.0604 -0.0126 0.086 Uiso 1.00 1 c R . .
H(11) H -0.2704 0.1510 0.1052 0.076 Uiso 1.00 1 c R . .
H(12) H -0.1629 0.3014 0.1987 0.051 Uiso 1.00 1 c R . .
H(13) H 0.5460 0.3458 0.5607 0.052 Uiso 1.00 1 c R . .
H(14) H 0.6170 0.4048 0.5267 0.052 Uiso 1.00 1 c R . .
H(15) H 0.6560 0.3178 0.5257 0.051 Uiso 1.00 1 c R . .
H(16) H 0.6089 0.3142 0.3279 0.068 Uiso 1.00 1 c R . .
H(17) H 0.6199 0.2202 0.3289 0.067 Uiso 1.00 1 c R . .
H(18) H 0.5089 0.2272 0.2669 0.068 Uiso 1.00 1 c R . .
H(19) H 0.3663 0.1302 0.3579 0.047 Uiso 1.00 1 c R . .
H(20) H 0.4883 0.1342 0.4169 0.046 Uiso 1.00 1 c R . .
H(21) H 0.3893 0.1772 0.4629 0.047 Uiso 1.00 1 c R . .
H(22) H -0.4388 0.6992 0.3098 0.057 Uiso 1.00 1 c R . .
H(23) H -0.3348 0.6912 0.3818 0.058 Uiso 1.00 1 c R . .
H(24) H -0.3138 0.7282 0.3008 0.058 Uiso 1.00 1 c R . .
H(25) H -0.4781 0.5623 0.1100 0.048 Uiso 1.00 1 c R . .
H(26) H -0.3971 0.5053 0.0890 0.048 Uiso 1.00 1 c R . .
H(27) H -0.3481 0.5973 0.1210 0.048 Uiso 1.00 1 c R . .
H(28) H -0.4466 0.4894 0.3256 0.050 Uiso 1.00 1 c R . .
H(29) H -0.5526 0.4834 0.2376 0.050 Uiso 1.00 1 c R . .
H(30) H -0.4596 0.4154 0.2276 0.050 Uiso 1.00 1 c R . .
H(31) H 0.2353 -0.1681 0.1719 0.028 Uiso 1.00 1 c R . .
H(32) H 0.7535 0.0461 0.2303 0.034 Uiso 1.00 1 c R . .
H(33) H 0.5513 0.0166 0.0899 0.040 Uiso 1.00 1 c R . .
H(34) H 0.4493 0.1220 0.0326 0.048 Uiso 1.00 1 c R . .
H(35) H 0.2667 0.1733 0.0663 0.050 Uiso 1.00 1 c R . .
H(36) H 0.1871 0.1222 0.1585 0.044 Uiso 1.00 1 c R . .
H(37) H 0.2769 0.0153 0.2151 0.034 Uiso 1.00 1 c R . .
H(38) H 0.3581 -0.2148 0.0479 0.039 Uiso 1.00 1 c R . .
H(39) H 0.3966 -0.3305 -0.0706 0.040 Uiso 1.00 1 c R . .
H(40) H 0.5917 -0.3644 -0.0696 0.051 Uiso 1.00 1 c R . .
H(41) H 0.7613 -0.2753 0.0526 0.041 Uiso 1.00 1 c R . .
H(42) H 0.7244 -0.1580 0.1682 0.037 Uiso 1.00 1 c R . .
H(43) H -0.1060 -0.1442 0.2997 0.052 Uiso 1.00 1 c R . .
H(44) H 0.0210 -0.0752 0.3637 0.052 Uiso 1.00 1 c R . .
H(45) H -0.0260 -0.0882 0.2677 0.052 Uiso 1.00 1 c R . .
H(46) H 0.0446 -0.3443 0.1524 0.047 Uiso 1.00 1 c R . .
H(47) H -0.0014 -0.2594 0.1184 0.047 Uiso 1.00 1 c R . .
H(48) H -0.0894 -0.3164 0.1474 0.047 Uiso 1.00 1 c R . .
H(49) H 0.1084 -0.3306 0.3397 0.048 Uiso 1.00 1 c R . .
H(50) H -0.0036 -0.2926 0.3537 0.048 Uiso 1.00 1 c R . .
H(51) H 0.1144 -0.2306 0.4127 0.048 Uiso 1.00 1 c R . .
H(52) H 0.9103 0.2932 0.4508 0.053 Uiso 1.00 1 c R . .
H(53) H 0.8803 0.2672 0.3408 0.053 Uiso 1.00 1 c R . .
H(54) H 1.0174 0.3172 0.4138 0.053 Uiso 1.00 1 c R . .
H(55) H 1.0700 0.1666 0.5240 0.045 Uiso 1.00 1 c R . .
H(56) H 1.1680 0.1906 0.4840 0.045 Uiso 1.00 1 c R . .
H(57) H 1.1360 0.1016 0.4630 0.045 Uiso 1.00 1 c R . .
H(58) H 1.1104 0.1721 0.2907 0.043 Uiso 1.00 1 c R . .
H(59) H 1.0794 0.0641 0.2717 0.043 Uiso 1.00 1 c R . .
H(60) H 0.9794 0.1161 0.2257 0.043 Uiso 1.00 1 c R . .
