Trinuclear platinum(II) 4,6-diphenyl-2,2'-bipyridyl complex with bis(diphenylphosphinomethyl)phenylphosphine auxiliary ligand: synthesis, structural characterization, and photophysics.
Shao, Pin; Sun, Wenfang; Inorganic chemistry 46 (2007) 8603–8612; doi:10.1021/ic700757x

data_4339520
_publ_section_title
;
 Trinuclear platinum(II) 4,6-diphenyl-2,2'-bipyridyl complex with
 bis(diphenylphosphinomethyl)phenylphosphine auxiliary ligand: synthesis,
 structural characterization, and photophysics.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8603
_journal_page_last               8612
_journal_paper_doi               10.1021/ic700757x
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C115 H92 F18 N7 P6 Pt3'
_chemical_formula_weight         2685.05
_chemical_name_systematic
; 
 ? 
;
_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                69.5930(10)
_cell_angle_beta                 70.8930(10)
_cell_angle_gamma                87.7230(10)
_cell_formula_units_Z            2
_cell_length_a                   16.21730(10)
_cell_length_b                   19.45240(10)
_cell_length_c                   20.92540(10)
_cell_measurement_reflns_used    8456
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.42
_cell_measurement_theta_min      2.16
_cell_volume                     5825.43(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0971
_diffrn_reflns_av_sigmaI/netI    0.1052
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            82251
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    3.753
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2634
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.319
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.160
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1342
_refine_ls_number_reflns         20432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1203
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0780P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1506
_reflns_number_gt                12041
_reflns_number_total             20432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700757x-file003.cif
_cod_data_source_block           sad
_cod_original_cell_volume        5825.43(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339520