Crystal structure of <i>cis</i>-[1,2-bis-(di-phenyl-phosphan-yl)ethene-κ<sup>2</sup><i>P</i>,<i>P</i>']di-chlorido-platinum(II) chloro-form disolvate: a new polymorph.
Mugemana, Jimmy; Bender, John; Staples, Richard J.; Biros, Shannon M.; Acta crystallographica. Section E, Crystallographic communications 74 (2018) 998–1001; doi:10.1107/S2056989018008836

data_2312117
_publ_section_title
;
 Crystal structure of
 <i>cis</i>-[1,2-bis-(di-phenyl-phosphan-yl)ethene-&#x3ba;<sup>2</sup><i>P</i>,<i>P</i>']di-chlorido-platinum(II)
 chloro-form disolvate: a new polymorph.
;
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              998
_journal_page_last               1001
_journal_paper_doi               10.1107/S2056989018008836
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Pt Cl2 (C26 H22 P2)], 2C H Cl3'
_chemical_formula_moiety         'C26 H22 Cl2 P2 Pt, 2(C H Cl3)'
_chemical_formula_sum            'C28 H24 Cl8 P2 Pt'
_chemical_formula_weight         901.10
_chemical_name_systematic
'<i>cis</i>-[1,2-Bis(diphenylphosphanyl)ethene-\k^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) chloroform disolvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 106.2465(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1441(10)
_cell_length_b                   18.0870(17)
_cell_length_c                   16.9621(16)
_cell_measurement_reflns_used    6541
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.375
_cell_measurement_theta_min      2.212
_cell_volume                     3282.4(5)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009; Bourhis <i>et al.</i>,
2015)
;
_computing_publication_material
;
<i>CrystalMaker</i> (Palmer, 2007)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26503
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.392
_diffrn_reflns_theta_min         1.683
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.043
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_description       needle
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.263
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.095
_refine_diff_density_max         3.442
_refine_diff_density_min         -1.005
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6039
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0396P)^2^+10.5640P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1221
_reflns_number_gt                3360
_reflns_number_total             6039
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5444sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2312117
_shelx_estimated_absorpt_t_min   0.351
_shelx_estimated_absorpt_t_max   0.646
_cod_database_fobs_code 2312117