#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:28:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178512 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/15/4061508.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_4061508
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050237+
_journal_year                    2005
_chemical_formula_sum            'C24 H24 As Cl2 N O Pt'
_chemical_formula_weight         683.35
_chemical_name_common
Dichloro[(S)-2-(2-(diphenylarsino)phenyl)-4-(isopropyl)ox
_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                 112.380(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1250(8)
_cell_length_b                   12.9507(11)
_cell_length_c                   10.6275(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1288.58(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.761
_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               4061508
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
Pt1 Pt 0.79457(3) -0.23854(4) -0.01027(3) 0.03069(12) Uani 1 1 d . . .
As1 As 0.62525(10) -0.17802(7) -0.21078(9) 0.0313(2) Uani 1 1 d . . .
Cl1 Cl 0.7134(3) -0.1226(2) 0.1057(3) 0.0472(6) Uani 1 1 d . . .
Cl2 Cl 0.9759(3) -0.2918(3) 0.1939(3) 0.0588(8) Uani 1 1 d . . .
C1 C 0.7007(11) -0.1891(9) -0.3527(10) 0.037(2) Uani 1 1 d . . .
C2 C 0.6579(14) -0.1177(10) -0.4573(11) 0.049(3) Uani 1 1 d . . .
H2A H 0.5918 -0.0667 -0.4610 0.058 Uiso 1 1 calc R . .
C3 C 0.7154(15) -0.1232(12) -0.5569(12) 0.059(3) Uani 1 1 d . . .
H3A H 0.6876 -0.0754 -0.6276 0.071 Uiso 1 1 calc R . .
C4 C 0.8111(14) -0.1971(13) -0.5525(14) 0.068(4) Uani 1 1 d . . .
H4A H 0.8471 -0.2007 -0.6208 0.082 Uiso 1 1 calc R . .
C5 C 0.8559(14) -0.2677(10) -0.4462(11) 0.059(4) Uani 1 1 d . . .
H5A H 0.9234 -0.3176 -0.4421 0.071 Uiso 1 1 calc R . .
C6 C 0.7990(11) -0.2632(8) -0.3456(10) 0.039(3) Uani 1 1 d . . .
C7 C 0.8478(12) -0.3456(10) -0.2410(12) 0.048(3) Uani 1 1 d . . .
C8 C 0.9477(16) -0.4997(12) -0.1636(15) 0.068(4) Uani 1 1 d . . .
H8A H 1.0511 -0.5034 -0.1289 0.082 Uiso 1 1 calc R . .
H8B H 0.9091 -0.5687 -0.1875 0.082 Uiso 1 1 calc R . .
C9 C 0.8986(13) -0.4525(10) -0.0603(13) 0.049(3) Uani 1 1 d . . .
H9A H 0.9796 -0.4462 0.0269 0.059 Uiso 1 1 calc R . .
C10 C 0.7743(17) -0.5087(12) -0.0388(17) 0.070(4) Uani 1 1 d . . .
H10A H 0.7419 -0.4640 0.0182 0.084 Uiso 1 1 calc R . .
C11 C 0.834(2) -0.6102(13) 0.044(2) 0.092(5) Uani 1 1 d . . .
H11A H 0.7578 -0.6460 0.0584 0.138 Uiso 1 1 calc R . .
H11B H 0.9071 -0.5931 0.1301 0.138 Uiso 1 1 calc R . .
H11C H 0.8731 -0.6538 -0.0063 0.138 Uiso 1 1 calc R . .
C12 C 0.6483(17) -0.5310(16) -0.165(2) 0.092(6) Uani 1 1 d . . .
H12A H 0.6128 -0.4678 -0.2127 0.138 Uiso 1 1 calc R . .
H12B H 0.5750 -0.5626 -0.1409 0.138 Uiso 1 1 calc R . .
H12C H 0.6754 -0.5771 -0.2213 0.138 Uiso 1 1 calc R . .
C13 C 0.4484(10) -0.2574(8) -0.2764(11) 0.043(3) Uani 1 1 d . . .
C14 C 0.3720(14) -0.2751(12) -0.4092(13) 0.073(4) Uani 1 1 d . . .
H14A H 0.3997 -0.2479 -0.4764 0.087 Uiso 1 1 calc R . .
C15 C 0.2502(18) -0.3357(18) -0.442(2) 0.104(7) Uani 1 1 d . . .
H15A H 0.1945 -0.3471 -0.5334 0.125 Uiso 1 1 calc R . .
C16 C 0.2103(18) -0.3777(15) -0.349(2) 0.092(6) Uani 1 1 d . . .
H16A H 0.1279 -0.4177 -0.3752 0.110 Uiso 1 1 calc R . .
C17 C 0.2875(19) -0.3631(14) -0.216(2) 0.087(5) Uani 1 1 d . . .
H17A H 0.2594 -0.3931 -0.1505 0.105 Uiso 1 1 calc R . .
C18 C 0.4101(13) -0.3025(11) -0.1768(15) 0.060(3) Uani 1 1 d . . .
H18A H 0.4656 -0.2923 -0.0852 0.072 Uiso 1 1 calc R . .
C19 C 0.5718(11) -0.0355(9) -0.2151(11) 0.040(2) Uani 1 1 d . . .
C20 C 0.4377(15) -0.0077(12) -0.2283(14) 0.062(3) Uani 1 1 d . . .
H20A H 0.3672 -0.0573 -0.2420 0.075 Uiso 1 1 calc R . .
C21 C 0.4071(19) 0.0992(14) -0.2207(19) 0.084(5) Uani 1 1 d . . .
H21A H 0.3173 0.1196 -0.2252 0.101 Uiso 1 1 calc R . .
C22 C 0.5104(18) 0.1716(11) -0.2067(16) 0.076(4) Uani 1 1 d . . .
H22A H 0.4893 0.2414 -0.2054 0.091 Uiso 1 1 calc R . .
C23 C 0.6404(17) 0.1427(12) -0.1948(14) 0.066(4) Uani 1 1 d . . .
H23A H 0.7093 0.1929 -0.1850 0.080 Uiso 1 1 calc R . .
C24 C 0.6757(13) 0.0399(11) -0.1968(13) 0.049(3) Uani 1 1 d . . .
H24A H 0.7681 0.0211 -0.1859 0.059 Uiso 1 1 calc R . .
N1 N 0.8510(9) -0.3460(7) -0.1195(9) 0.039(2) Uani 1 1 d . . .
O1 O 0.8945(11) -0.4322(8) -0.2795(10) 0.068(3) 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
Pt1 N1 2.028(8) . ?
Pt1 Cl1 2.285(3) . ?
Pt1 As1 2.3048(9) . ?
Pt1 Cl2 2.350(3) . ?
As1 C19 1.919(11) . ?
As1 C1 1.938(9) . ?
As1 C13 1.949(10) . ?
C1 C6 1.364(14) . ?
C1 C2 1.383(16) . ?
C2 C3 1.391(18) . ?
C3 C4 1.35(2) . ?
C4 C5 1.388(18) . ?
C5 C6 1.396(14) . ?
C6 C7 1.483(15) . ?
C7 N1 1.280(14) . ?
C7 O1 1.340(15) . ?
C8 O1 1.438(16) . ?
C8 C9 1.497(18) . ?
C9 N1 1.516(14) . ?
C9 C10 1.544(18) . ?
C10 C12 1.48(3) . ?
C10 C11 1.57(2) . ?
C13 C14 1.346(16) . ?
C13 C18 1.387(17) . ?
C14 C15 1.39(2) . ?
C15 C16 1.32(3) . ?
C16 C17 1.34(3) . ?
C17 C18 1.39(2) . ?
C19 C20 1.359(16) . ?
C19 C24 1.394(18) . ?
C20 C21 1.43(2) . ?
C21 C22 1.37(2) . ?
C22 C23 1.33(2) . ?
C23 C24 1.38(2) . ?
