#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178517 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/21/4062132.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_4062132
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C19 H48 Cr N4 Si3'
_chemical_formula_sum            'C19 H48 Cr N4 Si3'
_chemical_formula_weight         468.88
_chemical_melting_point          406(1)
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.294(2)
_cell_length_b                   12.522(9)
_cell_length_c                   10.703(5)
_cell_measurement_temperature    180(2)
_cell_volume                     1377.9(12)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.130
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21'
_cod_database_code               4062132
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C 0.6071(3) 0.6357(3) 0.3170(3) 0.0311(8) Uani 1 1 d . . .
H1A H 0.5493 0.6660 0.3790 0.037 Uiso 1 1 calc R . .
H1B H 0.5525 0.6101 0.2443 0.037 Uiso 1 1 calc R . .
C2 C 0.7004(3) 0.7202(3) 0.2757(4) 0.0319(8) Uani 1 1 d . . .
H2A H 0.6523 0.7769 0.2282 0.038 Uiso 1 1 calc R . .
H2B H 0.7464 0.7533 0.3495 0.038 Uiso 1 1 calc R . .
C3 C 0.7932(4) 0.5535(3) 0.0160(3) 0.0366(9) Uani 1 1 d . . .
H3A H 0.7550 0.5414 -0.0696 0.044 Uiso 1 1 calc R . .
H3B H 0.8892 0.5520 0.0127 0.044 Uiso 1 1 calc R . .
C4 C 0.7498(4) 0.6608(3) 0.0642(4) 0.0382(9) Uani 1 1 d . . .
H4A H 0.7880 0.7193 0.0158 0.046 Uiso 1 1 calc R . .
H4B H 0.6539 0.6668 0.0557 0.046 Uiso 1 1 calc R . .
C5 C 0.9908(4) 0.6566(3) 0.3265(4) 0.0340(9) Uani 1 1 d . . .
H5A H 1.0833 0.6780 0.3368 0.041 Uiso 1 1 calc R . .
H5B H 0.9470 0.6769 0.4033 0.041 Uiso 1 1 calc R . .
C6 C 0.9267(4) 0.7125(3) 0.2146(4) 0.0372(9) Uani 1 1 d . . .
H6A H 0.9228 0.7904 0.2297 0.045 Uiso 1 1 calc R . .
H6B H 0.9768 0.6999 0.1394 0.045 Uiso 1 1 calc R . .
C7 C 0.8157(4) 0.3400(3) 0.3318(3) 0.0276(8) Uani 1 1 d . . .
H7A H 0.8727 0.3399 0.4091 0.033 Uiso 1 1 calc R . .
H7B H 0.7271 0.3220 0.3571 0.033 Uiso 1 1 calc R . .
C8 C 0.8603(4) 0.2471(3) 0.2511(4) 0.0320(9) Uani 1 1 d . . .
H8A H 0.8185 0.2542 0.1661 0.038 Uiso 1 1 calc R . .
H8B H 0.9555 0.2524 0.2435 0.038 Uiso 1 1 calc R . .
C9 C 0.8287(4) 0.1374(3) 0.3024(4) 0.0422(10) Uani 1 1 d . . .
H9A H 0.7357 0.1353 0.3216 0.051 Uiso 1 1 calc R . .
H9B H 0.8808 0.1258 0.3815 0.051 Uiso 1 1 calc R . .
C10 C 0.8561(5) 0.0474(4) 0.2118(5) 0.0581(13) Uani 1 1 d . . .
H10A H 0.8359 -0.0213 0.2501 0.070 Uiso 1 1 calc R . .
H10B H 0.9481 0.0489 0.1924 0.070 Uiso 1 1 calc R . .
H10C H 0.8019 0.0567 0.1346 0.070 Uiso 1 1 calc R . .
C11 C 0.5841(6) 0.6247(4) 0.6105(4) 0.0583(14) Uani 1 1 d . . .
H11A H 0.6261 0.6922 0.5893 0.070 Uiso 1 1 calc R . .
H11B H 0.5925 0.6136 0.7012 0.070 Uiso 1 1 calc R . .
H11C H 0.4918 0.6275 0.5833 0.070 Uiso 1 1 calc R . .
C12 C 0.8248(4) 0.4917(6) 0.6127(3) 0.0560(13) Uani 1 1 d . . .
H12A H 0.8885 0.5404 0.5786 0.067 Uiso 1 1 calc R . .
H12B H 0.8529 0.4178 0.6014 0.067 Uiso 1 1 calc R . .
H12C H 0.8177 0.5062 0.7021 0.067 Uiso 1 1 calc R . .
C13 C 0.5595(5) 0.3930(4) 0.5496(4) 0.0509(12) Uani 1 1 d . . .
H13A H 0.4784 0.4012 0.4985 0.061 Uiso 1 1 calc R . .
H13B H 0.5397 0.3859 0.6378 0.061 Uiso 1 1 calc R . .
H13C H 0.6054 0.3289 0.5230 0.061 Uiso 1 1 calc R . .
C21 C 0.4942(4) 0.4804(4) -0.0392(4) 0.0512(12) Uani 1 1 d . . .
H21A H 0.4553 0.5254 0.0239 0.061 Uiso 1 1 calc R . .
H21B H 0.4265 0.4363 -0.0811 0.061 Uiso 1 1 calc R . .
H21C H 0.5344 0.5258 -0.1011 0.061 Uiso 1 1 calc R . .
C22 C 0.5358(4) 0.3148(4) 0.1578(4) 0.0405(10) Uani 1 1 d . . .
H22A H 0.5907 0.2550 0.1873 0.049 Uiso 1 1 calc R . .
H22B H 0.4536 0.2872 0.1206 0.049 Uiso 1 1 calc R . .
H22C H 0.5181 0.3614 0.2285 0.049 Uiso 1 1 calc R . .
C23 C 0.6780(5) 0.2987(4) -0.0841(4) 0.0514(12) Uani 1 1 d . . .
H23A H 0.7364 0.2452 -0.0449 0.062 Uiso 1 1 calc R . .
H23B H 0.7244 0.3392 -0.1462 0.062 Uiso 1 1 calc R . .
H23C H 0.6028 0.2628 -0.1253 0.062 Uiso 1 1 calc R . .
C31 C 1.2699(4) 0.5544(4) 0.3187(5) 0.0490(11) Uani 1 1 d . . .
H31A H 1.2698 0.5911 0.3996 0.059 Uiso 1 1 calc R . .
H31B H 1.2677 0.6073 0.2512 0.059 Uiso 1 1 calc R . .
H31C H 1.3489 0.5111 0.3150 0.059 Uiso 1 1 calc R . .
C32 C 1.1315(5) 0.3999(4) 0.1441(4) 0.0541(12) Uani 1 1 d . . .
H32A H 1.1589 0.4522 0.0826 0.065 Uiso 1 1 calc R . .
H32B H 1.0455 0.3718 0.1178 0.065 Uiso 1 1 calc R . .
H32C H 1.1944 0.3411 0.1500 0.065 Uiso 1 1 calc R . .
C33 C 1.1427(4) 0.3659(4) 0.4289(4) 0.0441(10) Uani 1 1 d . . .
H33A H 1.1243 0.3999 0.5085 0.053 Uiso 1 1 calc R . .
H33B H 1.2321 0.3387 0.4332 0.053 Uiso 1 1 calc R . .
H33C H 1.0821 0.3066 0.4126 0.053 Uiso 1 1 calc R . .
Cr Cr 0.80852(5) 0.49614(4) 0.26738(4) 0.01971(13) Uani 1 1 d . . .
N1 N 0.6829(3) 0.5458(2) 0.3734(3) 0.0252(6) Uani 1 1 d . . .
N2 N 0.7500(3) 0.4688(2) 0.1007(2) 0.0271(7) Uani 1 1 d . . .
N3 N 0.9811(3) 0.5391(2) 0.3070(3) 0.0258(6) Uani 1 1 d . . .
N4 N 0.7943(3) 0.6682(2) 0.1961(3) 0.0286(7) Uani 1 1 d . . .
Si1 Si 0.66419(9) 0.51220(8) 0.52967(8) 0.0276(2) Uani 1 1 d . . .
Si2 Si 0.62114(11) 0.39202(9) 0.03844(9) 0.0315(2) Uani 1 1 d . . .
Si3 Si 1.12327(9) 0.46574(8) 0.30013(9) 0.0291(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
C1 N1 1.480(5) . ?
C1 C2 1.510(5) . ?
C2 N4 1.473(5) . ?
C3 N2 1.479(5) . ?
C3 C4 1.516(6) . ?
C4 N4 1.464(5) . ?
C5 N3 1.488(5) . ?
C5 C6 1.510(6) . ?
C6 N4 1.475(4) . ?
C7 C8 1.533(5) . ?
C7 Cr 2.074(4) . ?
C8 C9 1.520(5) . ?
C9 C10 1.522(6) . ?
C11 Si1 1.867(5) . ?
C12 Si1 1.854(4) . ?
C13 Si1 1.860(4) . ?
C21 Si2 1.874(4) . ?
C22 Si2 1.859(4) . ?
C23 Si2 1.872(4) . ?
C31 Si3 1.876(4) . ?
C32 Si3 1.868(5) . ?
C33 Si3 1.863(4) . ?
Cr N1 1.870(3) . ?
Cr N3 1.884(3) . ?
Cr N2 1.884(3) . ?
Cr N4 2.288(3) . ?
N1 Si1 1.745(3) . ?
N2 Si2 1.743(3) . ?
N3 Si3 1.733(3) . ?
