Homo- and Heteroleptic Complexes of Four-Membered Group 13 Metal(I) N-Heterocyclic Carbene Analogues with Group 10 Metal(0) Fragments
Shaun P. Green; Cameron Jones; Andreas Stasch; Inorganic Chemistry 46 (2007) 11–13; doi:10.1021/ic062057d

data_4307559
_publ_section_title
;
Homo- and Heteroleptic Complexes of Four-Membered Group 13 Metal(I)
N-Heterocyclic Carbene Analogues with Group 10 Metal(0) Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11
_journal_page_last               13
_journal_paper_doi               10.1021/ic062057d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C106 H150 Ga2 N6 P2 Pt'
_chemical_formula_weight         1904.79
_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                80.33(3)
_cell_angle_beta                 88.13(3)
_cell_angle_gamma                68.81(3)
_cell_formula_units_Z            2
_cell_length_a                   14.172(3)
_cell_length_b                   17.635(4)
_cell_length_c                   22.360(5)
_cell_measurement_temperature    150(2)
_cell_volume                     5134(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.1050
_diffrn_reflns_av_sigmaI/netI    0.1715
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            35051
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    1.957
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1996
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.052
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1068
_refine_ls_number_reflns         19932
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0721
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0705P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1684
_reflns_number_gt                12253
_reflns_number_total             19932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062057dsi20061027_072426.cif
_cod_data_source_block           compound4
_cod_original_cell_volume        5134.3(18)
_cod_database_code               4307559