Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II)
Rath, N. P.; Fallis, K. A.; Anderson, G. K.; Acta Crystallographica Section C 49 (1993) 2079–2081; doi:10.1107/S0108270193005189

data_2001140
_publ_section_title
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 Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II)
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2079
_journal_page_last               2081
_journal_paper_doi               10.1107/S0108270193005189
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H17 Cl2 O P Pt'
_chemical_formula_weight         546.3
_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                101.82(2)
_cell_angle_beta                 93.01(2)
_cell_angle_gamma                108.36(2)
_cell_formula_units_Z            4
_cell_length_a                   9.355(2)
_cell_length_b                   14.678(2)
_cell_length_c                   14.685(4)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      12.5
_cell_volume                     1858.3(8)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11670
_diffrn_reflns_theta_max         30.0
_diffrn_standards_decay_%        5
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.925
_exptl_absorpt_correction_T_max  0.9597
_exptl_absorpt_correction_T_min  0.4224
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.56
_refine_diff_density_min         2.95
_refine_ls_goodness_of_fit_obs   1.09
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5786
_refine_ls_R_factor_obs          0.0713
_refine_ls_shift/esd_max         0.044
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^F + 0.0035F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0884
_reflns_number_observed          5786
_reflns_number_total             10824
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            st1054.cif
_cod_data_source_block           st1054_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^F + 0.0035F^2^]' 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 +
0.0035F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1858.1(7)
_cod_database_code               2001140