Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation
Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D.; ACS Catalysis  (2019) 9789–; doi:10.1021/acscatal.9b03132

data_4514892
_publ_section_title
;
 Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids
 Resulting from Dynamic Anionic Speciation
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              9789
_journal_paper_doi               10.1021/acscatal.9b03132
_journal_year                    2019
_chemical_formula_sum            'C12 H18 Al Cl9 Ga2 N6'
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_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
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_diffrn_ambient_temperature      223(2)
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_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.46(4)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1619P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2362
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs9b03132_si_002.cif
_cod_data_source_block           Al-GA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4514892
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              35564
_shelx_hkl_checksum              69797