#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/29/4062939.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_4062939
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049778+
_journal_year                    2004
_chemical_formula_sum            'C34 H62 B20 Cl2 N2 Si2 Yb2'
_chemical_formula_weight         1188.22
_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                82.27(3)
_cell_angle_beta                 71.48(3)
_cell_angle_gamma                68.25(3)
_cell_formula_units_Z            1
_cell_length_a                   10.201(2)
_cell_length_b                   10.767(2)
_cell_length_c                   12.723(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1230.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.603
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062939
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
N1 N 0.4322(10) 0.2694(8) 0.1880(7) 0.064(2) Uani 1 1 d . . .
Cl3 Cl 0.6354(3) 0.0458(2) -0.00288(18) 0.0569(6) Uani 1 1 d . . .
Yb1 Yb 0.39417(3) 0.05671(3) 0.16528(2) 0.0482(3) Uani 1 1 d . . .
Si4 Si 0.2701(3) -0.1695(3) 0.4133(2) 0.0602(7) Uani 1 1 d . . .
B3 B 0.5867(13) -0.1646(11) 0.3509(9) 0.060(2) Uani 1 1 d . . .
H3 H 0.5458 -0.0771 0.4035 0.072 Uiso 1 1 calc R . .
B4 B 0.7234(14) -0.1821(12) 0.2212(11) 0.068(3) Uani 1 1 d . . .
H4 H 0.7740 -0.1052 0.1890 0.081 Uiso 1 1 calc R . .
B5 B 0.6880(12) -0.2683(10) 0.1329(10) 0.060(3) Uani 1 1 d . . .
H5 H 0.7158 -0.2503 0.0427 0.072 Uiso 1 1 calc R . .
B6 B 0.5228(15) -0.3006(10) 0.2102(10) 0.062(3) Uani 1 1 d . . .
H6 H 0.4402 -0.3002 0.1717 0.074 Uiso 1 1 calc R . .
B7 B 0.6056(15) -0.3274(12) 0.4087(11) 0.066(3) Uani 1 1 d . . .
H7 H 0.5787 -0.3460 0.4989 0.079 Uiso 1 1 calc R . .
B8 B 0.7661(17) -0.2922(14) 0.3333(13) 0.080(4) Uani 1 1 d . . .
H8 H 0.8446 -0.2879 0.3741 0.096 Uiso 1 1 calc R . .
B9 B 0.8274(14) -0.3559(12) 0.1980(12) 0.075(3) Uani 1 1 d . . .
H9 H 0.9450 -0.3930 0.1510 0.090 Uiso 1 1 calc R . .
B10 B 0.7003(15) -0.4305(11) 0.1915(11) 0.072(3) Uani 1 1 d . . .
H10 H 0.7347 -0.5170 0.1392 0.086 Uiso 1 1 calc R . .
B11 B 0.5661(14) -0.4141(11) 0.3203(10) 0.067(3) Uani 1 1 d . . .
H11 H 0.5134 -0.4895 0.3522 0.080 Uiso 1 1 calc R . .
B12 B 0.7523(15) -0.4464(13) 0.3136(11) 0.076(3) Uani 1 1 d . . .
H12 H 0.8214 -0.5426 0.3411 0.091 Uiso 1 1 calc R . .
C1 C 0.5480(9) -0.1549(8) 0.2278(7) 0.0501(19) Uani 1 1 d . . .
C2 C 0.4775(10) -0.2447(8) 0.3404(7) 0.053(2) Uani 1 1 d . . .
C3 C 0.2458(17) -0.1411(16) 0.5578(10) 0.088(4) Uani 1 1 d . . .
H3A H 0.1425 -0.1034 0.5959 0.132 Uiso 1 1 calc R . .
H3B H 0.2938 -0.0804 0.5606 0.132 Uiso 1 1 calc R . .
H3C H 0.2884 -0.2245 0.5929 0.132 Uiso 1 1 calc R . .
C4 C 0.1758(14) -0.2866(13) 0.4062(13) 0.087(4) Uani 1 1 d . . .
H4A H 0.0720 -0.2477 0.4425 0.131 Uiso 1 1 calc R . .
H4B H 0.2162 -0.3699 0.4424 0.131 Uiso 1 1 calc R . .
H4C H 0.1908 -0.3023 0.3300 0.131 Uiso 1 1 calc R . .
C5 C 0.1720(12) 0.3561(11) 0.3010(11) 0.077(3) Uani 1 1 d . . .
H5A H 0.1409 0.4104 0.2401 0.092 Uiso 1 1 calc R . .
H5B H 0.1059 0.3995 0.3698 0.092 Uiso 1 1 calc R . .
C6 C 0.3234(15) 0.3441(13) 0.2909(11) 0.089(4) Uani 1 1 d . . .
H6A H 0.3503 0.2973 0.3559 0.107 Uiso 1 1 calc R . .
H6B H 0.3285 0.4327 0.2882 0.107 Uiso 1 1 calc R . .
C7 C 0.5725(17) 0.2281(13) 0.2170(14) 0.098(4) Uani 1 1 d . . .
H7A H 0.5916 0.3062 0.2263 0.148 Uiso 1 1 calc R . .
H7B H 0.6518 0.1752 0.1586 0.148 Uiso 1 1 calc R . .
H7C H 0.5648 0.1763 0.2848 0.148 Uiso 1 1 calc R . .
C8 C 0.439(2) 0.3576(12) 0.0924(13) 0.124(6) Uani 1 1 d . . .
H8A H 0.4546 0.4348 0.1087 0.186 Uiso 1 1 calc R . .
H8B H 0.3484 0.3852 0.0737 0.186 Uiso 1 1 calc R . .
H8C H 0.5195 0.3116 0.0311 0.186 Uiso 1 1 calc R . .
C11 C 0.2061(10) -0.0071(9) 0.3400(7) 0.053(2) Uani 1 1 d . . .
C12 C 0.2232(10) 0.1095(9) 0.3631(7) 0.061(2) Uani 1 1 d . . .
H12A H 0.2570 0.1162 0.4254 0.074 Uiso 1 1 calc R . .
C13 C 0.1648(10) 0.2189(9) 0.2994(8) 0.061(2) Uani 1 1 d . . .
C14 C 0.0302(11) 0.2400(11) 0.1526(9) 0.071(3) Uani 1 1 d . . .
H14A H 0.0203 0.3285 0.1322 0.085 Uiso 1 1 calc R . .
C15 C -0.0254(12) 0.1739(12) 0.1051(9) 0.074(3) Uani 1 1 d . . .
H15A H -0.0741 0.2174 0.0526 0.088 Uiso 1 1 calc R . .
C16 C -0.0100(13) 0.0382(14) 0.1351(10) 0.073(3) Uani 1 1 d . . .
H16A H -0.0547 -0.0041 0.1055 0.088 Uiso 1 1 calc R . .
C17 C 0.0681(10) -0.0308(10) 0.2056(8) 0.057(2) Uani 1 1 d . . .
H17A H 0.0820 -0.1211 0.2199 0.069 Uiso 1 1 calc R . .
C18 C 0.1302(10) 0.0341(9) 0.2589(8) 0.057(2) Uani 1 1 d . . .
C19 C 0.1044(10) 0.1744(9) 0.2339(8) 0.056(2) Uani 1 1 d . . .
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
N1 C8 1.439(15) . ?
N1 C7 1.484(16) . ?
N1 C6 1.514(15) . ?
N1 Yb1 2.527(7) . ?
Cl3 Yb1 2.614(2) 2_655 ?
Cl3 Yb1 2.675(2) . ?
Yb1 C1 2.438(8) . ?
Yb1 C12 2.561(8) . ?
Yb1 C13 2.583(9) . ?
Yb1 Cl3 2.614(2) 2_655 ?
Yb1 C19 2.643(9) . ?
Yb1 C11 2.636(9) . ?
Yb1 C18 2.664(9) . ?
Yb1 Yb1 4.1832(16) 2_655 ?
Si4 C3 1.828(13) . ?
Si4 C11 1.859(10) . ?
Si4 C4 1.873(12) . ?
Si4 C2 1.918(10) . ?
B3 C2 1.686(14) . ?
B3 C1 1.715(13) . ?
B3 B7 1.773(15) . ?
B3 B4 1.769(17) . ?
B3 B8 1.801(18) . ?
B4 C1 1.679(15) . ?
B4 B5 1.745(18) . ?
B4 B8 1.785(17) . ?
B4 B9 1.787(17) . ?
B5 C1 1.731(13) . ?
B5 B9 1.773(17) . ?
B5 B10 1.779(14) . ?
B5 B6 1.794(16) . ?
B6 C2 1.700(15) . ?
B6 C1 1.733(14) . ?
B6 B11 1.784(15) . ?
B6 B10 1.797(17) . ?
B7 C2 1.706(14) . ?
B7 B8 1.76(2) . ?
B7 B11 1.774(18) . ?
B7 B12 1.786(19) . ?
B8 B9 1.77(2) . ?
B8 B12 1.77(2) . ?
B9 B12 1.775(17) . ?
B9 B10 1.787(19) . ?
B10 B11 1.750(18) . ?
B10 B12 1.764(19) . ?
B11 C2 1.722(14) . ?
B11 B12 1.775(18) . ?
C1 C2 1.730(11) . ?
C5 C6 1.466(16) . ?
C5 C13 1.509(14) . ?
C11 C12 1.410(14) . ?
C11 C18 1.412(14) . ?
C12 C13 1.389(14) . ?
C13 C19 1.397(14) . ?
C14 C15 1.351(17) . ?
C14 C19 1.431(15) . ?
C15 C16 1.423(17) . ?
C16 C17 1.353(16) . ?
C17 C18 1.441(13) . ?
C18 C19 1.443(13) . ?
