Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties
Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu; Journal of the American Chemical Society 124 (2002) 14696–14706; doi:10.1021/ja0209417

data_4115360
_publ_section_title
;
 Organic Triplet Emissions of Arylacetylide Moieties Harnessed through
 Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon
 Photoluminescent Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14696
_journal_page_last               14706
_journal_paper_doi               10.1021/ja0209417
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C32 H42 Au P'
_chemical_formula_sum            'C32 H42 Au P'
_chemical_formula_weight         654.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Apr 22 19:42:50 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.68(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.273(1)
_cell_length_b                   17.234(2)
_cell_length_c                   25.080(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      26.6
_cell_measurement_theta_min      24.5
_cell_volume                     5717.8(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      301.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.01623
_diffrn_orient_matrix_UB_12      0.01552
_diffrn_orient_matrix_UB_13      -0.03675
_diffrn_orient_matrix_UB_21      -0.05580
_diffrn_orient_matrix_UB_22      -0.03397
_diffrn_orient_matrix_UB_23      -0.01578
_diffrn_orient_matrix_UB_31      -0.04835
_diffrn_orient_matrix_UB_32      0.04441
_diffrn_orient_matrix_UB_33      0.00077
_diffrn_radiation_detector       scintillation_counter
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10932
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        0.46
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.237
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.468
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.150
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_refine_diff_density_max         0.49
_refine_diff_density_min         -0.52
_refine_ls_extinction_coef       0.48523
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.093
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         5271
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0283
_refine_ls_shift/esd_max         0.0410
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          5271
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_reflns_observed_criterion       2.00
_cod_data_source_file            ja0209417_05.cif
_cod_data_source_block           afc823_C32H42P1Au1_13_01_1999_Compound_3
_cod_original_cell_volume        5717.9(9)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C32 H42 Au P '
_cod_database_code               4115360