Structure of <i>trans</i>-dichloro(dimethylsulfoxide)(piperidine)platinum(II)
Lövqvist, K.; Oskarsson, Å.; Acta Crystallographica Section C 48 (1992) 2073–2075; doi:10.1107/S0108270192007212

data_2000491
_publ_section_title
;
 Structure of
 <i>trans</i>-dichloro(dimethylsulfoxide)(piperidine)platinum(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2073
_journal_page_last               2075
_journal_paper_doi               10.1107/S0108270192007212
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C7 H17 Cl2 N1 O1 Pt1 S1'
_chemical_formula_sum            'C7 H17 Cl2 N O Pt S'
_chemical_formula_weight         429.26
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_type_scat_source           'International Tables (1974, Vol. IV)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.551(2)
_cell_length_b                   10.486(3)
_cell_length_c                   12.543(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    .295E-293
_cell_measurement_theta_max      15.5
_cell_measurement_theta_min      4.9
_cell_volume                     1256.2(5)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  '0.0068 (based on standard reflections)'
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1746
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        <+-2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.86
_exptl_absorpt_correction_T_max  0.4152
_exptl_absorpt_correction_T_min  0.1986
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Yellow-orange
_exptl_crystal_density_diffrn    2.273
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.46
_refine_diff_density_min         -1.32
_refine_ls_extinction_coef       370
_refine_ls_extinction_method     Isotropic
_refine_ls_goodness_of_fit_obs   1.04
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1329
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.076
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = (\s^2^/4|F~o~|^2^+0.038|F~0~|^2^+3.0)^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          1329
_reflns_number_total             1746
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1016.cif
_cod_data_source_block           ab1016a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'(\s^2^/4|F~o~|^2^+0.038|F~0~|^2^+3.0)^-1^' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = (\s^2^/4|F~o~|^2^+0.038|F~0~|^2^+3.0)^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1256.2(3)
_cod_original_formula_sum        'C7 H17 Cl2 N1 O1 Pt1 S1'
_cod_database_code               2000491