Metal-Halide Bond Photoactivation from a PtIII-AuII Complex
Timothy R. Cook; Arthur J. Esswein; Daniel G. Nocera; Journal of the American Chemical Society 129 (2007) 10094–10095; doi:10.1021/ja073908z

data_4109795
_publ_section_title
;
 Metal-Halide Bond Photoactivation from a PtIII-AuII Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10094
_journal_page_last               10095
_journal_paper_doi               10.1021/ja073908z
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C59 H55 Au Cl7 F6 P5 Pt'
_chemical_formula_weight         1673.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.8610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   44.296(2)
_cell_length_b                   11.0985(6)
_cell_length_c                   27.3766(14)
_cell_measurement_reflns_used    15046
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      1.65
_cell_volume                     12111.0(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            43966
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    5.226
_exptl_absorpt_correction_T_max  0.6595
_exptl_absorpt_correction_T_min  0.4926
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_description       Block
_exptl_crystal_F_000             6512
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.491
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         15046
_refine_ls_number_restraints     300
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+272.7152P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1152
_reflns_number_gt                13638
_reflns_number_total             15046
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja073908zsi20070530_013320.cif
_cod_data_source_block           c06036t
_cod_database_code               4109795