Cationic Hydridotriplatinum Complex with Bridging Germylene Ligands
Tanaka, Kimiya; Tanabe, Makoto; Ide, Tomohito; Osakada, Kohtaro; Organometallics 33 (2014) 2608–; doi:10.1021/om500309k

data_4083175
_publ_section_title
;
 Cationic Hydridotriplatinum Complex with Bridging Germylene Ligands
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2608
_journal_paper_doi               10.1021/om500309k
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C46 H60 B Cl2 F4 Ge3 P3 Pt3'
_chemical_formula_sum            'C46 H60 B Cl2 F4 Ge3 P3 Pt3'
_chemical_formula_weight         1666.65
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.492(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.219(6)
_cell_length_b                   18.132(6)
_cell_length_c                   17.212(6)
_cell_measurement_reflns_used    7249
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.29
_cell_volume                     5125(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20815
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.105
_exptl_absorpt_correction_T_max  0.220
_exptl_absorpt_correction_T_min  0.102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.160
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3144.00
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         4.090
_refine_diff_density_min         -1.570
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3811 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.388(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9559
_refine_ls_number_restraints     621
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0578P)^2^+86.3855P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1274
_reflns_number_gt                7354
_reflns_number_total             9559
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om500309k_si_002.cif
_cod_data_source_block           complex2a
_cod_depositor_comments          'Adding full bibliography for 4083175.cif.'
_cod_database_code               4083175