<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)
Roodt, A.; Otto, S.; Leipoldt, J. G.; Acta Crystallographica Section C 51 (1995) 1105–1106; doi:10.1107/S0108270194014599

data_2003584
_publ_section_title
;
 <i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1105
_journal_page_last               1106
_journal_paper_doi               10.1107/S0108270194014599
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         '[Pt{As(C6 H5)3}2 (CH3) Cl]'
_chemical_formula_sum            'C37 H33 As2 Cl Pt'
_chemical_formula_weight         858.01
_chemical_name_systematic
;
trans-bis(triphenylarsine)chloromethylplatinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.32(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.749(1)
_cell_length_b                   23.342(2)
_cell_length_c                   12.644(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      17
_cell_volume                     3230.3(7)
_computing_cell_refinement       'standard CAD-4 software'
_computing_data_collection       'standard CAD-4 software'
_computing_data_reduction        'PROFIT (Streltsov & Zavodnik, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2833
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.484
_exptl_absorpt_correction_T_max  0.577
_exptl_absorpt_correction_T_min  0.397
_exptl_absorpt_correction_type
;
empirical (Akselrud, Grin, Zavalii, Pecharsky & Fundamuntsky, 1989)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_density_meas      1.744
_exptl_crystal_density_method    'flotation in NaI/H~2~O'
_exptl_crystal_description       Diamonds
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.69
_refine_diff_density_min         -1.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.066
_refine_ls_goodness_of_fit_obs   1.066
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         2653
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_restrained_S_obs      1.066
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_obs          0.0275
_refine_ls_shift/esd_max         0.118
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0616P)^2^]
where P = [max(0,F~o~^2^) + 2F~c~^2^]/3
;
_refine_ls_wR_factor_all         0.0696
_refine_ls_wR_factor_obs         0.0696
_reflns_number_observed          2653
_reflns_number_total             2833
_reflns_observed_criterion       I>2sigma(I)
_cod_data_source_file            mu1156.cif
_cod_data_source_block           ptasph
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3230.3(6)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               2003584
_cod_database_fobs_code          2003584