Solvent-Controlled Doublet Emission of an Organometallic Gold(I) Complex with a Polychlorinated Diphenyl(4-pyridyl)methyl Radical Ligand: Dual Fluorescence and Enhanced Emission Efficiency.
Ogino, Yasuyo; Kusamoto, Tetsuro; Hattori, Yohei; Shimada, Masaki; Tsuchiya, Mizuho; Yamanoi, Yoshinori; Nishibori, Eiji; Sugimoto, Kunihisa; Nishihara, Hiroshi; Inorganic chemistry 56 (2017) 3909–3915; doi:10.1021/acs.inorgchem.6b02864

data_4349367
_publ_section_title
;
 Solvent-Controlled Doublet Emission of an Organometallic Gold(I) Complex
 with a Polychlorinated Diphenyl(4-pyridyl)methyl Radical Ligand: Dual
 Fluorescence and Enhanced Emission Efficiency.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3909
_journal_page_last               3915
_journal_paper_doi               10.1021/acs.inorgchem.6b02864
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C24 H6 Au Cl8 F5 N'
_chemical_formula_sum            'C24 H6 Au Cl8 F5 N'
_chemical_formula_weight         883.90
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                74.674(6)
_cell_angle_beta                 87.725(7)
_cell_angle_gamma                87.251(6)
_cell_formula_units_Z            2
_cell_length_a                   7.962(2)
_cell_length_b                   11.660(3)
_cell_length_c                   14.579(4)
_cell_measurement_reflns_used    10188
_cell_measurement_temperature    100
_cell_measurement_theta_max      13.32
_cell_measurement_theta_min      1.27
_cell_volume                     1303.3(6)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 14.706
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku R-AXIS IV'
_diffrn_measurement_method       \w
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.35400
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22853
_diffrn_reflns_theta_full        13.29
_diffrn_reflns_theta_max         13.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.066
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             834.00
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.013
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.690
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5960
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0615P)^2^+1.8895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                4990
_reflns_number_total             5969
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic6b02864_si_002.cif
_cod_data_source_block           ogino3_
_cod_database_code               4349367