Crystal structure of homodinuclear platinum complex containing a metal‒metal bond bridged by hydride and phosphide ligands
Ouis, Sakina; Rouag, Djamil Azzedine; Bendjeddou, Lamia; Bailly, Corinne; Acta Crystallographica Section E 74 (2018) 977–980; doi:10.1107/S205698901800868X

data_2242540
_publ_section_title
;
 Crystal structure of homodinuclear platinum complex containing a
 metal--metal bond bridged by hydride and phosphide ligands
;
_journal_coeditor_code           XU5929
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              977
_journal_page_last               980
_journal_paper_doi               10.1107/S205698901800868X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac
'[Pt2 Br2 (C12 H10 P) H (C18 H15 P)2], C4 H10 O'
_chemical_formula_moiety         'C48 H41 Br2 P3 Pt2, C4 H10 O'
_chemical_formula_structural     'C48 H41 Br2 P3 Pt2, C4 H10 O'
_chemical_formula_sum            'C52 H51 Br2 O P3 Pt2'
_chemical_formula_weight         1334.83
_chemical_name_common
'dibromo hydrido phosphido bis triphenyl phosphine diplatinum II '
_chemical_name_systematic
'\m-Diphenylphosphido-\m-hydrido-bis[bromido(triphenylphosphane-\k<i>P</i>)platinum(II)] diethyl ether monosolvate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_cell_angle_alpha                113.4110(10)
_cell_angle_beta                 94.0830(10)
_cell_angle_gamma                96.6810(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0257(5)
_cell_length_b                   14.0341(6)
_cell_length_c                   17.4469(7)
_cell_measurement_reflns_used    9992
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      34.97
_cell_measurement_theta_min      2.27
_cell_volume                     2440.09(18)
_computing_cell_refinement
;
SAINT (Bruker, 2006)
;
_computing_data_collection
;
APEX2 (Bruker, 2006)
;
_computing_data_reduction
;
SAINT (Bruker, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009) and Mercury (Macrae <i>et
al.</i>, 2006)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0325
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            47421
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.59
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.499
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.5117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.995
_refine_diff_density_min         -1.007
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         9969
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+3.5779P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0571
_reflns_number_gt                8359
_reflns_number_total             9969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            xu5929sup1.cif
_cod_data_source_block           I
_cod_database_code               2242540
_cod_database_fobs_code 2242540