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_4115359
_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         'C28 H38 Au P '
_chemical_formula_sum            'C28 H38 Au P'
_chemical_formula_weight         602.55
_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'
_audit_creation_date             'Thu Apr 22 18:47:51 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 93.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.321(4)
_cell_length_b                   16.755(2)
_cell_length_c                   12.731(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      36.2
_cell_measurement_theta_min      28.1
_cell_volume                     2623.3(10)
_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      0.04206
_diffrn_orient_matrix_UB_12      0.02911
_diffrn_orient_matrix_UB_13      -0.05277
_diffrn_orient_matrix_UB_21      0.06955
_diffrn_orient_matrix_UB_22      -0.01582
_diffrn_orient_matrix_UB_23      0.03904
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_diffrn_orient_matrix_UB_33      -0.04340
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_max         25.04
_diffrn_standards_decay_%        0.44
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.700
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.443
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourless
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_refine_diff_density_min         -0.57
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_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.178
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3118
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0233
_refine_ls_shift/esd_max         0.0270
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          3118
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_reflns_observed_criterion       3.00
_cod_data_source_file            ja0209417_04.cif
_cod_data_source_block           afc824_C28H38P1Au1_10_01_1999_Compound_2
_cod_original_cell_volume        2623.3(9)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C28 H38 Au P '
_cod_database_code               4115359