C‒C Bond Forming Reductive Elimination from Diarylplatinum Complexes Driven by Visible-Light-Mediated Photoredox Reactions
Shiba, Yuichiro; Inagaki, Akiko; Akita, Munetaka; Organometallics 34 (2015) 4844–; doi:10.1021/om501080v

data_4086037
_publ_section_title
;
 C--C Bond Forming Reductive Elimination from Diarylplatinum Complexes
 Driven by Visible-Light-Mediated Photoredox Reactions
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4844
_journal_paper_doi               10.1021/om501080v
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C50 H31 F10 Ir N6 P Pt'
_chemical_formula_weight         1324.07
_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                 123.4920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.124(3)
_cell_length_b                   24.288(3)
_cell_length_c                   17.0643(19)
_cell_measurement_temperature    93(2)
_cell_volume                     10412(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24921
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    5.343
_exptl_absorpt_correction_T_max  0.4146
_exptl_absorpt_correction_T_min  0.4146
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5064
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.885
_refine_diff_density_min         -2.227
_refine_diff_density_rms         0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         10292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0724P)^2^+332.3826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.1833
_reflns_number_gt                7896
_reflns_number_total             10292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501080v_si_004.cif
_cod_data_source_block           121115irpttol2_0m-sr
_cod_depositor_comments          'Adding full bibliography for 4086037.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4086037