Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms
Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada; Organometallics 24 (2005) 234–244; doi:10.1021/om049251x

data_4060050
_publ_section_title
;
 Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and
 Isocyanide Ligands Encapsulating Two Mercury(0) Atoms
;
_journal_name_full               Organometallics
_journal_page_first              234
_journal_page_last               244
_journal_paper_doi               10.1021/om049251x
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C144 H150 Hg2 N6 P6 Pt6 '
_chemical_formula_sum            'C144 H150 Hg2 N6 P6 Pt6'
_chemical_formula_weight         3722.37
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.6317(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   38.202(4)
_cell_length_b                   14.8735(11)
_cell_length_c                   30.618(3)
_cell_measurement_reflns_used    10093
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     15685.0(26)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.4676
_diffrn_measured_fraction_theta_max 0.3790
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            20519
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.11
_exptl_absorpt_coefficient_mu    7.367
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7096.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.86
_refine_diff_density_min         -1.45
_refine_ls_extinction_coef       31.9(17)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     418
_refine_ls_number_reflns         3688
_refine_ls_R_factor_gt           0.0840
_refine_ls_shift/su_max          0.0300
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0890
_reflns_number_gt                3688
_reflns_number_total             6775
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C144 H150 Hg2 N6 P6 Pt6 '
_cod_database_code               4060050