#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003314.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_2003314
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year          1995
_journal_page_first    	619
_journal_page_last    	621
_publ_section_title
;
cis-[1,2-Bis(propylsulfinyl)ethane-\k^2^S,S']dichloroplatinum(II)
;
_chemical_formula_sum    	'C8 H18 Cl2 O2 Pt S2'
_chemical_formula_weight    	476.34
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2-x,-y,1/2+z'
    '-x,1/2+y,1/2-z'
    '1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	7.360(2)
_cell_length_b    	9.793(2)
_cell_length_c    	19.369(2)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1396.1(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	2.27
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	13.45
_cell_measurement_theta_max    	22.68
_exptl_absorpt_coefficient_mu    	10.81
_cell_measurement_temperature    	296
_exptl_crystal_description    	'rectangular plate'
_exptl_crystal_size_max    	0.60
_exptl_crystal_size_mid    	0.43
_exptl_crystal_size_min    	0.15
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'colorless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'empirical'
_exptl_absorpt_correction_T_min    	0.392
_exptl_absorpt_correction_T_max    	0.683
_diffrn_reflns_number    	1464
_reflns_number_total    	1437
_reflns_number_observed    	1369
_reflns_observed_criterion    	I>3\s(I)
_diffrn_reflns_av_R_equivalents    	0.04
_diffrn_reflns_theta_max    	25
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	8
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	11
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	22
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	30
_diffrn_standards_decay_%    	'not significant'
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.047
_refine_ls_wR_factor_obs    	0.052
_refine_ls_goodness_of_fit_obs    	1.43
_refine_ls_number_reflns    	1369
_refine_ls_number_parameters    	136
_refine_ls_hydrogen_treatment    	'noref'
_refine_ls_weighting_scheme    	'w = 2.4089/[\s^2^(F~o~) + 0.00071F~o~^2^]'
_refine_ls_shift/esd_max    	0.001
_refine_diff_density_max    	1.31
_refine_diff_density_min    	-3.83
_refine_ls_extinction_method    	?
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'Cromer & Mann (1968)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    Pt .1098(1) .5153(1) .4903(1) 2.34(2)
    Cl(1) -.1032(6) .5203(6) .4031(3) 3.7(2)
    Cl(2) -.0734(7) .6548(6) .5583(3) 4.0(2)
    S(1) .3089(6) .4866(5) .5741(2) 2.7(1)
    S(2) .2911(6) .3955(5) .4222(2) 2.7(1)
    O(S1) .271(2) .366(1) .6159(7) 3.8(4)
    O(S2) .222(2) .273(2) .3890(8) 4.7(5)
    C(1) .375(3) .514(2) .359(1) 3.5(6)
    C(2) .487(2) .437(2) .3033(9) 3.5(6)
    C(3) .555(3) .531(4) .250(1) 6(1)
    C(4) .352(3) .631(2) .630(1) 3.6(6)
    C(5) .497(3) .605(3) .682(1) 5.0(8)
    C(6) .511(5) .717(3) .731(1) 7(1)
    C(7) .491(2) .362(2) .4718(9) 3.0(5)
    C(8) .522(2) .472(2) .529(1) 4.2(6)
    H1(C1) .460 .589 .384 7.(1)
    H2(C1) .261 .565 .334 7.(1)
    H1(C2) .402 .361 .2794 7.(1)
    H2(C2) .602 .388 .3280 7.(1)
    H1(C3) .632 .474 .212 7.(1)
    H2(C3) .641 .607 .273 7.(1)
    H3(C3) .441 .580 .224 7.(1)
    H1(C4) .228 .656 .657 7.(1)
    H2(C4) .393 .717 .598 7.(1)
    H1(C5) .625 .593 .655 7.(1)
    H2(C5) .465 .512 .709 7.(1)
    H1(C6) .617 .695 .768 7.(1)
    H2(C6) .383 .729 .757 7.(1)
    H3(C6) .544 .810 .703 7.(1)
    H1(C7) .607 .361 .4376 7.(1)
    H2(C7) .477 .264 .4963 7.(1)
    H1(C8) .629 .442 .564 7.(1)
    H2(C8) .557 .570 .506 7.(1)
_cod_database_code 2003314