Strongly Luminescent Palladium(0) and Platinum(0) Diphosphine Complexes
Taro Tsubomura; Yasuhiro Ito; Satoshi Inoue; Yu Tanaka; Kenji Matsumoto; Toshiaki Tsukuda; Inorganic Chemistry 47 (2008) 481–486; doi:10.1021/ic700475z

data_4303951
_publ_section_title
;
Strongly Luminescent Palladium(0) and Platinum(0) Diphosphine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              481
_journal_page_last               486
_journal_paper_doi               10.1021/ic700475z
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C72 H56 P4 Pd (C7 H8)3'
_chemical_formula_sum            'C93 H77 P4 Pt'
_chemical_formula_weight         1513.61
_chemical_name_common            '[Pt(biphep)2] (C6H5CH3)3'
_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                 97.870(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.818(8)
_cell_length_b                   14.219(3)
_cell_length_c                   26.677(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      10.0
_cell_volume                     7447(3)
_computing_cell_refinement       teXsan
_computing_data_collection       teXsan
_computing_data_reduction        teXsan
_computing_molecular_graphics    ortepIII
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  AFC-5S
_diffrn_measurement_method       'profile data from \q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_av_sigmaI/netI    0.1936
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            6760
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.017
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.039
_refine_diff_density_min         -1.157
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         6556
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.325
_refine_ls_R_factor_all          0.1617
_refine_ls_R_factor_gt           0.0782
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                3779
_reflns_number_total             6556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700475z-file003.cif
_cod_data_source_block           ptbiphep
_cod_original_cell_volume        7446(3)
_cod_database_code               4303951