Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)
Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt; Inorganic Chemistry 40 (2001) 1728–1729; doi:10.1021/ic001145+

data_4327563
_publ_section_title
;
 Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1728
_journal_page_last               1729
_journal_paper_doi               10.1021/ic001145+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C45 H70 Br2 Cl5 Hg N4 Pt2'
_chemical_formula_weight         1594.89
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.170(4)
_cell_angle_beta                 99.639(3)
_cell_angle_gamma                92.101(4)
_cell_formula_units_Z            2
_cell_length_a                   12.6189(10)
_cell_length_b                   13.5312(6)
_cell_length_c                   17.0728(13)
_cell_measurement_temperature    150(2)
_cell_volume                     2831.3(3)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi/omega 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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.1187
_diffrn_reflns_limit_h_max       16
_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       -22
_diffrn_reflns_number            20750
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    9.312
_exptl_absorpt_correction_T_max  0.8006
_exptl_absorpt_correction_T_min  0.3356
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1518
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.107
_refine_diff_density_min         -2.166
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         12250
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.365
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0726P)^2^+19.4942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                7767
_reflns_number_total             12250
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0011452B_1.cif
_cod_data_source_block           00056
_cod_database_code               4327563