Photoluminescent properties and molecular structures of [NaphAu(PPh3)] and [μ-Naph {Au(PPh3)}2] ClO4 (Naph = 2-naphthyl)
Osawa, Masahisa; Hoshino, Mikio; Hashizume, Daisuke; Dalton Transactions  (2008) 2248–2252; doi:10.1039/b714609d

data_7003235
_publ_section_title
;
 Photoluminescent properties and molecular structures of [NaphAu(PPh3)]
 and [\m-Naph {Au(PPh3)}2] ClO4 (Naph = 2-naphthyl)
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              2248
_journal_page_last               2252
_journal_paper_doi               10.1039/b714609d
_journal_year                    2008
_chemical_formula_moiety         'C46 H37 Au2 P2, Cl O4 '
_chemical_formula_sum            'C46 H37 Au2 Cl O4 P2'
_chemical_formula_weight         1145.13
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.2925(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.5352(14)
_cell_length_b                   13.7991(13)
_cell_length_c                   20.974(2)
_cell_measurement_reflns_used    12732
_cell_measurement_temperature    90.1
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      1.4
_cell_volume                     4094.1(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            82832
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_exptl_absorpt_coefficient_mu    7.370
_exptl_absorpt_correction_T_max  0.555
_exptl_absorpt_correction_T_min  0.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2200.00
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.55
_refine_diff_density_min         -2.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     497
_refine_ls_number_reflns         11963
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0664P)^2^+12.9348P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1360
_reflns_number_gt                10154
_reflns_number_total             11963
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b714609d.txt
_cod_data_source_block           '__2NAu2_2_100K'
_cod_original_cell_volume        4094.2(7)
_cod_original_formula_sum        'C46 H37 Au2 Cl O4 P2 '
_cod_database_code               7003235