Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties
Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu; Dalton Transactions 54 (2025) 9576–9583; doi:10.1039/D4DT03508A

data_7718698
_publ_section_title
;
 Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene
 Au(i) complexes: synthesis, characterization, and photophysical
 properties
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              9576
_journal_page_last               9583
_journal_paper_doi               10.1039/D4DT03508A
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C34 H39 Au Cl N3 S'
_chemical_formula_weight         754.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_creation_date
;
'Wed Jun 29 12:19:50 2022'
;
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;FinalCif V118 by Daniel Kratzert, Freiburg 2025,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2025-03-04 deposited with the CCDC.	2025-05-15 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
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;  CrysAlisPro, Agilent
Technologies,  Version
1.171.37.35 (release
13-08-2014 CrysAlis171 .NET)
(compiled Aug 13
2014,18:06:01)
;
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;
  1 omega   -1.00   83.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   -3.00   78.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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omega____ theta____ kappa____ phi______ frames
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  4 omega  -25.00   26.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega   14.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega  -11.00   63.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
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  7 omega  -51.00   83.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       16.0852    0.0000 -150.0000 134

  8 omega  -29.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0000  -96.0000 -176.5392 84
;
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.572
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0183P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            d4dt03508a2.cif
_cod_data_source_block           exp_8068
_cod_depositor_comments
'Adding full bibliography for 7718697--7718703.cif.'
_cod_original_cell_volume        1592.90(12)
_cod_database_code               7718698
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