Amine-Amide Equilibrium in Gold(III) Complexes and a Gold(III)-Gold(I) Aurophilic Bond
Lingyun Cao; Michael C. Jennings; Richard J. Puddephatt; Inorganic Chemistry 46 (2007) 1361–1368; doi:10.1021/ic061911y

data_4307422
_publ_section_title
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Amine-Amide Equilibrium in Gold(III) Complexes and a Gold(III)-Gold(I)
Aurophilic Bond
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1361
_journal_page_last               1368
_journal_paper_doi               10.1021/ic061911y
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C20 H23 Au Cl3 N3'
_chemical_formula_weight         608.73
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
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_cell_formula_units_Z            2
_cell_length_a                   7.1396(4)
_cell_length_b                   12.0281(9)
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_computing_data_collection       'Nonius COLLECT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -15
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_exptl_absorpt_coefficient_mu    6.892
_exptl_absorpt_correction_T_max  0.5822
_exptl_absorpt_correction_T_min  0.1691
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.40
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_shift/su_max          0.003
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
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_reflns_number_gt                2346
_reflns_number_total             3954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061911ysi20061006_041022_2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1126.95(13)
_cod_database_code               4307422