A new orthorhombic crystal form of dichloro[(‒)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum, [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~]
Ganter, C.; Orpen, A.G.; Bergamini, P.; Costa, E.; Acta Crystallographica Section C 50 (1994) 507–510; doi:10.1107/S0108270193010170

data_2009623
_publ_section_title
;A new orthorhombic crystal form of
 dichloro[(--)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum,
 [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              507
_journal_page_last               510
_journal_paper_doi               10.1107/S0108270193010170
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C31 H32 Cl2 O2 P2 Pt'
_chemical_formula_weight         764.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                   16.382(8)
_cell_length_b                   16.796(7)
_cell_length_c                   10.926(3)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      3
_cell_volume                     3006(2)
_diffrn_measurement_device       'Siemens P3m'
_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       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3791
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.98
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_correction_T_min  0.535
_exptl_absorpt_correction_type   'empirical azimuthal scan'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_description       'Multi-faceted block'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.5
_refine_diff_density_min         -1.5
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     'not applied'
_refine_ls_goodness_of_fit_obs   1.19
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     175
_refine_ls_number_reflns         1817
_refine_ls_R_factor_obs          0.063
_refine_ls_shift/esd_max         0.028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s~c~^2^(F) + gF^2^]^-1^; g=0.0005'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          1817
_reflns_number_total             3172
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            hu1050.cif
_cod_data_source_block           hu1050_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = [\s~c~^2^(F) + gF^2^]^-1^;
g=0.0005' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s~c~^2^(F) + gF^2^]^-1^; g=0.0005'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C31 H32 Cl2 O2 P2 Pt1'
_cod_database_code               2009623