Synthesis, photoluminescent and electroluminescent behaviour of four-coordinate tetrahedral gold(i) complexes. X-Ray crystal structure of [Au(dppn)2]Cl
Wing-Wah Yam, Vivian; Chan, Chui-Ling; Wing-Kin Choi, Sam; Man-Chung Wong, Keith; Chung-Chin Cheng, Eddie; Yu, Sze-Chit; Ng, Po-King; Chan, Wai-Kin; Cheung, Kung-Kai; Chemical Communications  (2000) 53–; doi:10.1039/a908521a

data_7110775
_publ_contact_author
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    ENTER NAME
 ENTER
ADDRESS
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_publ_section_title
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 Synthesis, photoluminescent and electroluminescent behaviour of
 four-coordinate tetrahedral gold(i) complexes. X-Ray crystal structure of
 [Au(dppn)2]Cl
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_journal_issue                   1
_journal_name_full               'Chemical Communications'
_journal_page_first              53
_journal_paper_doi               10.1039/a908521a
_journal_year                    2000
_chemical_formula_moiety         '(C68 H52 P4 Au)+Cl-'
_chemical_formula_sum            'C68 H52 Au Cl P4'
_chemical_formula_weight         1225.47
_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             'Fri Oct  1 19:16:58 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                89.99(3)
_cell_angle_beta                 98.75(1)
_cell_angle_gamma                90.01(3)
_cell_formula_units_Z            4
_cell_length_a                   16.981(4)
_cell_length_b                   13.527(4)
_cell_length_c                   26.399(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     5993(2)
_computing_cell_refinement       'Enraf-Nonius Data Collection Software'
_computing_data_collection       'Enraf-Nonius Data Collection Software'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    DIRDIF92(PATTY)
_diffrn_ambient_temperature      273.2
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       'omega-2 theta scans'
_diffrn_orient_matrix_UB_11      0.04073
_diffrn_orient_matrix_UB_12      0.00321
_diffrn_orient_matrix_UB_13      0.03158
_diffrn_orient_matrix_UB_21      -0.04344
_diffrn_orient_matrix_UB_22      -0.00003
_diffrn_orient_matrix_UB_23      0.02167
_diffrn_orient_matrix_UB_31      0.00178
_diffrn_orient_matrix_UB_32      -0.07385
_diffrn_orient_matrix_UB_33      0.00137
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  7.15
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            10470
_diffrn_reflns_theta_max         24.97
_diffrn_standards_decay_%        -0.99
_diffrn_standards_interval_count '2 hours'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.653
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             2464.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.40
_refine_ls_extinction_coef       1.01449
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.792
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         4753
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0601
_refine_ls_shift/esd_max         0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0878
_reflns_number_observed          4753
_reflns_number_total             10130
_reflns_observed_criterion       3.00
_cod_data_source_file            a908521asup1.cif
_cod_data_source_block           cad666_AUDPN4_C68H52P4AuCl
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_atom_type_scat_dispersion_image' was replaced with
'_atom_type_scat_dispersion_imag' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
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_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7110775