<i>cis</i>-[1,2-Bis(diisopropylphosphino-κ<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate
Paavola, Sari; Teixidor, Francesc; Viñas, Clara; Kivekäs, Raikko; Acta Crystallographica Section C 58 (2002) m237–m239; doi:10.1107/S0108270102002184

data_2012639
_publ_section_title
;<i>cis</i>-[1,2-Bis(diisopropylphosphino-\k<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II)
 dichloromethane hemisolvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m237
_journal_page_last               m239
_journal_paper_doi               10.1107/S0108270102002184
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Pt Cl2 (C14 H38 B10 P2)] , 0.5C H2 Cl2'
_chemical_formula_moiety         'C14 H38 B10 Cl2 P2 Pt , 0.5C H2 Cl2'
_chemical_formula_sum            'C14.5 H39 B10 Cl3 P2 Pt'
_chemical_formula_weight         684.94
_chemical_name_systematic
;
cis-[1,2-Bis(diisopropylphosphino-\kP)-1,2-dicarba-closo-
dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 130.785(12)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   42.785(12)
_cell_length_b                   10.320(14)
_cell_length_c                   32.238(11)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      11.87
_cell_measurement_theta_min      5.94
_cell_volume                     10778(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1993)
;
_computing_data_reduction
'PROCESS in TEXSAN (Molecular Structure Corporation, 1993)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       \w/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_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.101
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            9888
_diffrn_reflns_theta_full        25.26
_diffrn_reflns_theta_max         25.26
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.628
_exptl_absorpt_correction_T_max  0.570
_exptl_absorpt_correction_T_min  0.295
_exptl_absorpt_correction_type   \y
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             5360
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.12
_refine_diff_density_min         -1.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         9749
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.124
_refine_ls_R_factor_gt           0.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0528P)^2^+56.0903P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.133
_refine_ls_wR_factor_ref         0.146
_reflns_number_gt                6434
_reflns_number_total             9749
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz1494.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C14.50 H39 B10 Cl3 P2 Pt'
_cod_database_code               2012639
_cod_database_fobs_code          2012639