#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000491.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_2000491
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2073
_journal_page_last  2075
loop_
_publ_author_name
 'Lovqvist, K.'
 'Oskarsson, A.'
_chemical_formula_moiety  'C7 H17 Cl2 N1 O1 Pt1 S1'
_chemical_formula_sum  'C7 H17 Cl2 N1 O1 Pt1 S1'
_chemical_formula_weight  429.26
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  9.551(2)
_cell_length_b  10.486(3)
_cell_length_c  12.543(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1256.2(3)
_cell_formula_units_Z  4
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  4.9
_cell_measurement_theta_max  15.5
_cell_measurement_temperature  .295E-293
_exptl_crystal_description  'Prism'
_exptl_crystal_colour  'Yellow-orange'
_exptl_crystal_size_max  0.22
_exptl_crystal_size_mid  0.18
_exptl_crystal_size_min  0.05
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  2.273
_exptl_crystal_density_meas  ?
_exptl_absorpt_coefficient_mu  11.86
_exptl_absorpt_correction_type  'integration'
_exptl_absorpt_correction_T_min  0.1986
_exptl_absorpt_correction_T_max  0.4152
_diffrn_radiation_type  'Mo K\a'
_diffrn_radiation_wavelength  0.71069
_diffrn_measurement_device  'CAD4'
_diffrn_measurement_method  '\w/2\q'
_diffrn_reflns_number  1746
_diffrn_reflns_av_R_equivalents  '0.0068 (based on standard reflections)'
_diffrn_reflns_theta_max  28
_diffrn_reflns_limit_h_min  0
_diffrn_reflns_limit_h_max  12
_diffrn_reflns_limit_k_min  -13
_diffrn_reflns_limit_k_max  0
_diffrn_reflns_limit_l_min  0
_diffrn_reflns_limit_l_max  16
_diffrn_standards_number  3
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time  120
_diffrn_standards_decay_%  <+-2
_reflns_number_total  1746
_reflns_number_observed  1329
_reflns_observed_criterion  I>3\s(I)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  0.048
_refine_ls_wR_factor_obs  0.061
_refine_ls_goodness_of_fit_obs  1.04
_refine_ls_number_reflns  1329
_refine_ls_number_parameters  119
_refine_ls_hydrogen_treatment  'noref'
_refine_ls_weighting_scheme  '(\s^2^/4|F~o~|^2^+0.038|F~0~|^2^+3.0)^-1^'
_refine_ls_shift/esd_max  0.076
_refine_diff_density_max  1.46
_refine_diff_density_min  -1.32
_refine_ls_extinction_method  'Isotropic'
_refine_ls_extinction_coef  370
_atom_type_scat_source  'International Tables (1974, Vol. IV)'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Pt .08970(7) .01621(7) .02408(6) .0345(2)
 Cl(1) .3003(6)   .0460(7)   -.0598(5)   .061(2)
 Cl(2) -.1234(5)   -.0212(6)   .1028(5)   .0512(16)
 S .1480(6)   .1661(6)   .1399(5)   .0463(18)
 N .0431(17) -.1224(16) -.0895(16) .040(5)
 O .2800(19) .149(2)   .2002(17) .079(8)
 C(1) -.084(2)   -.0947(19) -.1533(17) .042(6)
 C(2) -.109(2)   -.192(3)   -.245(2)   .056(8)
 C(3) -.114(3)   -.328(3)   -.191(3)   .071(11)
 C(4) .020(3)   -.359(3)   -.128(2)   .065(9)
 C(5) .038(3)   -.258(2)   -.0417(18) .051(8)
 C(6) .009(4)   .200(3)   .235(3)   .080(12)
 C(7) .156(3)   .320(2)   .065(3)   .077(11)