Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier; Chemical science 15 (2024) 16651–16659; doi:10.1039/d4sc04374j

data_1572641
_publ_section_title
;
 Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
;
_journal_issue                   40
_journal_name_full               'Chemical science'
_journal_page_first              16651
_journal_page_last               16659
_journal_paper_doi               10.1039/d4sc04374j
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C22 H22 Au Cl2 O2 P'
_chemical_formula_sum            'C22 H22 Au Cl2 O2 P'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_audit_update_record
;
2024-02-09 deposited with the CCDC.	2024-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_reflns_used    9410
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      42.08
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_cell_volume                     2126.6(2)
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
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_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  triumph
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_number            145612
_diffrn_reflns_point_group_measured_fraction_full 0.972
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.653
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.18
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_exptl_crystal_size_min          0.04
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_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_gt           0.0153
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0155P)^2^+0.4630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0359
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_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           GS0383-1
_cod_depositor_comments
'Adding full bibliography for 1572639--1572645.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1572641
_shelx_res_checksum              55674
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