Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands
Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Yumura, Takashi; Naka, Kensuke; Organometallics 35 (2016) 364–; doi:10.1021/acs.organomet.5b00944

data_4088233
_publ_section_title
;
 Highly Efficient Solid-State Phosphorescence of Platinum Dihalide
 Complexes with 9-Phenyl-9-arsafluorene Ligands
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              364
_journal_paper_doi               10.1021/acs.organomet.5b00944
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C36.5 H27 As2 Br2 Cl Pt'
_chemical_formula_sum            'C36.5 H27 As2 Br2 Cl Pt'
_chemical_formula_weight         1005.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.9662(14)
_cell_angle_beta                 100.3116(12)
_cell_angle_gamma                97.5634(11)
_cell_formula_units_Z            2
_cell_length_a                   8.9649(2)
_cell_length_b                   9.8619(3)
_cell_length_c                   19.2946(6)
_cell_measurement_reflns_used    11995
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.04
_cell_volume                     1645.25(8)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16691
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         3.035
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.786
_exptl_absorpt_correction_T_max  0.268
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             954.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.63
_refine_diff_density_min         -1.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0398P)^2^+7.1340P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                5366
_reflns_number_total             7490
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om5b00944_si_003.cif
_cod_data_source_block           PtBr2-CH2Cl2
_cod_original_cell_volume        1645.25(9)
_cod_database_code               4088233