<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_2003547
_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 Pd S2'
_chemical_formula_weight         405.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                98.52(1)
_cell_angle_beta                 98.69(1)
_cell_angle_gamma                84.52(1)
_cell_formula_units_Z            2
_cell_length_a                   6.815(1)
_cell_length_b                   17.967(2)
_cell_length_c                   6.223(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      15
_cell_volume                     742.83(18)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2879
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.05
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.866
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.948
_exptl_absorpt_correction_type   'empirical via 3 \y scans (North, Phillips &'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.74
_refine_diff_density_min         -1.07
_refine_ls_extinction_coef       3.765E-7
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   2.81
_refine_ls_hydrogen_treatment    'H atoms riding with C---H = 0.95\%A'
_refine_ls_number_parameters     157
_refine_ls_number_reflns         2240
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.01
_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         0.059
_reflns_number_observed          2240
_reflns_number_total             2633
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            fg1033.cif
_cod_data_source_block           1
_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        742.9(2)
_cod_database_code               2003547