Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles and Their Supramolecular Assembly.
Leung, Ming-Yi; Leung, Sammual Yu-Lut; Yim, King-Chin; Chan, Alan Kwun-Wa; Ng, Maggie; Yam, Vivian Wing-Wah; Journal of the American Chemical Society 141 (2019) 19466–19478; doi:10.1021/jacs.9b10607

data_4133746
_publ_section_title
;
 Multiresponsive Luminescent Cationic Cyclometalated Gold(III) Amphiphiles
 and Their Supramolecular Assembly.
;
_journal_issue                   49
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              19466
_journal_page_last               19478
_journal_paper_doi               10.1021/jacs.9b10607
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C47 H54 Au N2 O, C H2 Cl2, Cl'
_chemical_formula_sum            'C48 H56 Au Cl3 N2 O'
_chemical_formula_weight         980.26
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_angle_beta                 93.718(2)
_cell_angle_gamma                91.239(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1917(5)
_cell_length_b                   12.9960(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.43
_cell_volume                     2147.17(17)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2014)'
_computing_data_collection       'APEX3 v2015.1-0 (Bruker, 2015)'
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_diffrn_detector_area_resol_mean 1024
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker PHOTON100 CMOS Detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'compact optics'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'microfocus I\mS'
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_exptl_absorpt_correction_T_min  0.0018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2014/5)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_exptl_crystal_size_min          0.056
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0404
_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^)+(0.0822P)^2^+4.2830P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7320
_reflns_number_total             7571
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_CHEM0085_2
_cod_depositor_comments
'Adding full bibliography for 4133746--4133747.cif.'
_cod_database_code               4133746
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              95572