Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.
Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik; Dalton transactions (Cambridge, England : 2003) 43 (2014) 11959–11972; doi:10.1039/c4dt01187b

data_7031335
_publ_section_title
;
 Luminescent monocyclometalated cationic gold(iii) complexes: synthesis,
 photophysical characterization and catalytic investigations.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11959
_journal_page_last               11972
_journal_paper_doi               10.1039/c4dt01187b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         '2(C23 H19 Au F9 N O3 P), 2(C F3 O3 S), H2 O'
_chemical_formula_sum            'C48 H40 Au2 F24 N2 O13 P2 S2'
_chemical_formula_weight         1828.81
_chemical_name_systematic
;(phosphite-\k<i>P</i>)[2-(pyridin-2-yl-\k<i>N</i>)phenyl-\k<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) water solvate
 2/2/1
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2013-10-30 # Formatted by publCIF
;
_cell_angle_alpha                75.678(3)
_cell_angle_beta                 76.534(3)
_cell_angle_gamma                72.228(3)
_cell_formula_units_Z            1
_cell_length_a                   8.5077(3)
_cell_length_b                   13.2966(4)
_cell_length_c                   14.1736(5)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      30.3
_cell_measurement_theta_min      3.0
_cell_volume                     1457.72(9)
_computing_cell_refinement
;
CrysAlisPro, version 1.171.36.20 ((Agilent Technologies, 2012)
;
_computing_data_collection
;
CrysAlisPro, version 1.171.36.20 (Agilent Technologies, 2012)
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CrysAlisPro, version 1.171.36.20 (Agilent Technologies, 2012)
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_computing_molecular_graphics
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<i>ORTEP-3 for Windows</i> (Farrugia, 1997) and/or <i>Mercury</i> (Macrae et
al.,
2006)
;
_computing_publication_material
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<i>WinGX</i> (Farrugia, 1999), <i>PLATON for Windows</i> (Spek, 2003) and
<i>publCIF</i> (Westrip, 2010)
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_computing_structure_refinement  ' SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    ' SHELXS97 (Sheldrick, 2008) '
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0349
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;
CrysAlisPro, Version 1.171.36.20 (Agilent Technologies, 2012) -
Analytical numeric absorption correction using a multifaceted crystal model
 based on expressions derived by R.C. Clark & J.S. Reid (1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             882
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.41
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5971
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0591P)^2^+0.7191P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0933
_reflns_number_gt                5550
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_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
'Adding full bibliography for 7031331--7031336.cif.'
_cod_original_cell_volume        1457.72(8)
_cod_database_code               7031335