1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.
Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh; Dalton transactions (Cambridge, England : 2003) 44 (2015) 15157–15165; doi:10.1039/c4dt03201b

data_7033735
_publ_section_title
;
 1,2,4-Triazole-derived carbene complexes of gold: characterization,
 solid-state aggregation and ligand disproportionation.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15157
_journal_page_last               15165
_journal_paper_doi               10.1039/c4dt03201b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C10 H11 Au Br N3'
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; 
 ? 
;
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2014-12-05 deposited with the CCDC.
2015-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                77.756(3)
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_exptl_absorpt_correction_type   multi-scan
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;
'SADABS v1.00 (Bruker,2008) was used for absorption correction. 
R(int) was 0.1225 before and 0.0440 after correction. The Ratio of 
minimum to maximum transmission is 0.5007. The l/2 correction factor 
is 0.0015'
;
_exptl_crystal_colour            Colourless
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_exptl_crystal_density_meas      ?
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0140P)^2^+0.9394P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0500
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5105
_reflns_number_total             5398
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt03201b2.cif
_cod_data_source_block           E090
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033734--7033739.cif.
;
_cod_original_cell_volume        1178.1(4)
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_shelx_res_checksum              96492