<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)
Parvez, M.; Primak, A.; Clark, P. D.; Acta Crystallographica Section C 51 (1995) 1099–1102; doi:10.1107/S0108270194014861

data_2003548
_publ_section_title
;
 <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and
 <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1099
_journal_page_last               1102
_journal_paper_doi               10.1107/S0108270194014861
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H20 Cl2 Pt S2'
_chemical_formula_weight         494.41
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 94.94(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.934(3)
_cell_length_b                   11.759(3)
_cell_length_c                   8.256(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     767.4(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1880
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.703
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type   'DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            'lemon yellow'
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_exptl_crystal_size_max          0.20
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_exptl_crystal_size_min          0.13
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_refine_ls_extinction_coef       2.574E-6
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   3.63
_refine_ls_hydrogen_treatment    'H atoms riding with C---H = 0.95\%A'
_refine_ls_number_parameters     80
_refine_ls_number_reflns         1351
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          1351
_reflns_number_total             1759
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            fg1033.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        767.4(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003548