The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~
Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.; Acta Crystallographica Section C 51 (1995) 604–606; doi:10.1107/S0108270194009108

data_2003368
_publ_section_title
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 The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              604
_journal_page_last               606
_journal_paper_doi               10.1107/S0108270194009108
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C26 H44 Cl4 O2 P2 Pt2 S2'
_chemical_formula_sum            'C26 H44 Cl4 O2 P2 Pt2 S2'
_chemical_formula_weight         1046.7
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.835(3)
_cell_length_b                   17.596(3)
_cell_length_c                   16.015(3)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    298
_cell_measurement_theta_max      13
_cell_measurement_theta_min      9
_cell_volume                     3616.9(12)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3900
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         20
_exptl_absorpt_coefficient_mu    1.6655
_exptl_absorpt_correction_T_max  1.198
_exptl_absorpt_correction_T_min  0.313
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.844
_exptl_crystal_description       'White block'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.89
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     181
_refine_ls_number_reflns         1906
_refine_ls_R_factor_obs          0.0383
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.00/[\s^2^(F) + 0.00637F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0428
_reflns_number_observed          1889
_reflns_number_total             2794
_reflns_observed_criterion       F>=6\s(F)
_cod_data_source_file            mu1113.cif
_cod_data_source_block           mu1113a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1.00/[\s^2^(F) +
0.00637F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1.00/[\s^2^(F) + 0.00637F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        3617.0(10)
_cod_database_code               2003368