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_4060049
_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_sum            'C147 H158 Hg2 N6 P6 Pt6'
_chemical_formula_weight         3766.47
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.519(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.571(2)
_cell_length_b                   15.024(2)
_cell_length_c                   34.088(4)
_cell_measurement_reflns_used    20574
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     8431(1)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            38459
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    6.854
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            darkgreen
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_refine_diff_density_max         2.61
_refine_diff_density_min         -2.34
_refine_ls_extinction_coef       0.0013
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     739
_refine_ls_number_reflns         12879
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          -0.9860
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1178P)^2^+111.2125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2431
_reflns_number_gt                12879
_reflns_number_total             19143
_reflns_threshold_expression     >2.0sigma(I)
_cod_original_formula_sum        'C147 H158 Hg2 N6 P6 Pt6 '
_cod_database_code               4060049