Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands
Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki; Organometallics 33 (2014) 1893–; doi:10.1021/om401211d

data_4082881
_publ_section_title
;
 Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd)
 Supported by Triphosphine Ligands
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1893
_journal_paper_doi               10.1021/om401211d
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C94 H88 Au Cl7 F12 N P9 Pd Pt2 '
_chemical_formula_sum            'C94 H88 Au Cl7 F12 N P9 Pd Pt2'
_chemical_formula_weight         2680.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.399(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.2983(17)
_cell_length_b                   23.534(2)
_cell_length_c                   27.456(3)
_cell_measurement_reflns_used    22466
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     10465.5(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'Mercury 3.1'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.804
_diffrn_measured_fraction_theta_max 0.806
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            57415
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.606
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5208.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         2.83
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1208
_refine_ls_number_reflns         23401
_refine_ls_R_factor_gt           0.0965
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1825P)^2^+96.0936P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2654
_reflns_number_gt                14666
_reflns_number_total             23401
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om401211d_si_002.cif
_cod_data_source_block           '_compound16'
_cod_depositor_comments
'Adding full bibliography for 4082877--4082881.cif.'
_cod_original_formula_sum        'C94 H88 Au Cl7 F12 N P9 Pd Pt2 '
_cod_database_code               4082881