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#$Date: 2018-08-18 20:07:53 +0300 (Sat, 18 Aug 2018) $
#$Revision: 209910 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/28/4062899.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_4062899
loop_
_publ_author_name
'Kuczkowski, Andreas'
'Fahrenholz, Sonja'
'Schulz, Stephan'
'Nieger, Martin'
_publ_section_title
;
 Reactions of Distibines Sb₂R₄ and Dibismuthine Bi₂Et₄ with
 Trialkyltrieles MR₃
;
_journal_coden_ASTM              ORGND7
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3615
_journal_page_last               3621
_journal_paper_doi               10.1021/om049746m
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C12 H36 Ga3 Sb3'
_chemical_formula_sum            'C12 H36 Ga3 Sb3'
_chemical_formula_weight         754.82
_chemical_name_common            ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.056(1)
_cell_angle_beta                 97.883(1)
_cell_angle_gamma                119.513(1)
_cell_formula_units_Z            2
_cell_length_a                   10.3280(3)
_cell_length_b                   10.4400(4)
_cell_length_c                   13.4815(6)
_cell_measurement_temperature    123(2)
_cell_volume                     1195.01(8)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    2.098
_cod_database_code               4062899
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_assembly
_atom_site_disorder_group
Sb1 Sb 0.29465(7) 0.37786(6) 0.17325(5) 0.02243(16) Uani 1 1 d . . .
Sb2 Sb 0.40902(6) 0.84887(6) 0.25172(4) 0.02087(16) Uani 1 1 d . . .
Sb3 Sb 0.73389(6) 0.73785(6) 0.27169(4) 0.02038(16) Uani 1 1 d . . .
Ga1 Ga 0.57810(10) 0.43574(10) 0.17335(7) 0.0213(2) Uani 1 1 d . . .
Ga2 Ga 0.20271(11) 0.56495(10) 0.25231(7) 0.0216(2) Uani 1 1 d . . .
Ga3 Ga 0.70730(11) 0.97598(10) 0.25743(7) 0.0196(2) Uani 1 1 d . . .
C1 C 0.1403(11) 0.2409(10) 0.0169(7) 0.033(2) Uani 1 1 d . . .
H1A H 0.1665 0.3049 -0.0305 0.050 Uiso 1 1 calc R . .
H1B H 0.0333 0.2027 0.0192 0.050 Uiso 1 1 calc R . .
H1C H 0.1513 0.1533 -0.0087 0.050 Uiso 1 1 calc R . .
C2 C 0.2038(12) 0.2051(11) 0.2525(8) 0.036(2) Uani 1 1 d . . .
H2A H 0.2631 0.2495 0.3265 0.055 Uiso 1 1 calc R . .
H2B H 0.2119 0.1180 0.2195 0.055 Uiso 1 1 calc R . .
H2C H 0.0951 0.1690 0.2476 0.055 Uiso 1 1 calc R . .
C3 C 0.6375(11) 0.3448(10) 0.2733(7) 0.028(2) Uani 1 1 d . . .
H3A H 0.6253 0.3813 0.3419 0.041 Uiso 1 1 calc R . .
H3B H 0.7455 0.3761 0.2806 0.041 Uiso 1 1 calc R . .
H3C H 0.5710 0.2320 0.2469 0.041 Uiso 1 1 calc R . .
C4 C 0.5903(10) 0.3801(11) 0.0273(7) 0.029(2) Uani 1 1 d . . .
H4A H 0.5576 0.4327 -0.0132 0.043 Uiso 1 1 calc R . .
H4B H 0.5224 0.2682 -0.0050 0.043 Uiso 1 1 calc R . .
H4C H 0.6971 0.4120 0.0279 0.043 Uiso 1 1 calc R . .
C5 C 0.3981(10) 1.0023(9) 0.3778(7) 0.0232(19) Uani 1 1 d . . .
H5A H 0.4444 0.9998 0.4454 0.035 Uiso 1 1 calc R . .
H5B H 0.2899 0.9691 0.3724 0.035 Uiso 1 1 calc R . .
H5C H 0.4550 1.1076 0.3730 0.035 Uiso 1 1 calc R . .
C6 C 0.3004(11) 0.8857(11) 0.1233(7) 0.030(2) Uani 1 1 d . . .
H6A H 0.2952 0.8227 0.0570 0.045 Uiso 1 1 calc R . .
H6B H 0.3604 0.9950 0.1271 0.045 Uiso 1 1 calc R . .
H6C H 0.1955 0.8564 0.1267 0.045 Uiso 1 1 calc R . .
C7 C 0.2106(12) 0.5640(11) 0.4012(8) 0.039(3) Uani 1 1 d . . .
H7A H 0.3162 0.6005 0.4392 0.059 Uiso 1 1 calc R . .
H7B H 0.1402 0.4588 0.4026 0.059 Uiso 1 1 calc R . .
H7C H 0.1793 0.6323 0.4347 0.059 Uiso 1 1 calc R . .
C8 C 0.0016(10) 0.4962(11) 0.1534(8) 0.037(2) Uani 1 1 d . . .
H8A H 0.0165 0.5025 0.0838 0.056 Uiso 1 1 calc R . .
H8B H -0.0352 0.5630 0.1796 0.056 Uiso 1 1 calc R . .
H8C H -0.0749 0.3893 0.1482 0.056 Uiso 1 1 calc R . .
C9 C 0.9765(9) 0.8234(11) 0.3148(8) 0.031(2) Uani 1 1 d . . .
H9A H 1.0164 0.8362 0.2532 0.046 Uiso 1 1 calc R . .
H9B H 0.9926 0.7498 0.3414 0.046 Uiso 1 1 calc R . .
H9C H 1.0313 0.9231 0.3696 0.046 Uiso 1 1 calc R . .
C10 C 0.6966(13) 0.7283(11) 0.4246(7) 0.036(2) Uani 1 1 d . . .
H10A H 0.5876 0.6900 0.4207 0.054 Uiso 1 1 calc R . .
H10B H 0.7616 0.8319 0.4751 0.054 Uiso 1 1 calc R . .
H10C H 0.7235 0.6588 0.4474 0.054 Uiso 1 1 calc R . .
C11 C 0.8371(10) 1.1354(9) 0.3953(7) 0.026(2) Uani 1 1 d . . .
H11A H 0.8086 1.0899 0.4520 0.038 Uiso 1 1 calc R . .
H11B H 0.8203 1.2209 0.4017 0.038 Uiso 1 1 calc R . .
H11C H 0.9463 1.1741 0.4002 0.038 Uiso 1 1 calc R . .
C12 C 0.7431(11) 1.0379(10) 0.1291(7) 0.031(2) Uani 1 1 d . . .
H12A H 0.6725 0.9491 0.0670 0.046 Uiso 1 1 calc R . .
H12B H 0.8501 1.0740 0.1281 0.046 Uiso 1 1 calc R . .
H12C H 0.7244 1.1211 0.1287 0.046 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 C2 2.150(9) . ?
Sb1 C1 2.170(9) . ?
Sb1 Ga2 2.6757(11) . ?
Sb1 Ga1 2.6815(11) . ?
Sb2 C6 2.134(8) . ?
Sb2 C5 2.157(8) . ?
Sb2 Ga2 2.6679(10) . ?
Sb2 Ga3 2.6693(11) . ?
Sb3 C9 2.147(8) . ?
Sb3 C10 2.160(9) . ?
Sb3 Ga1 2.6656(10) . ?
Sb3 Ga3 2.6710(11) . ?
Ga1 C3 1.983(9) . ?
Ga1 C4 1.983(9) . ?
Ga2 C7 2.000(10) . ?
Ga2 C8 2.003(9) . ?
Ga3 C12 1.979(9) . ?
Ga3 C11 1.989(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
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 . ?
