Single-component, metal-free, solvent-free HO-functionalized 1,2,3-triazole-based ionic liquid catalysts for efficient CO2 conversion
Arruda da Mata, Álvaro Farias; Glanzmann, Nicolas; Fazza Stroppa, Pedro Henrique; Terra Martins, Felipe; das Chagas, Rafael Pavão; da Silva, Adilson David; Milani, Jorge Luiz Sônego; New Journal of Chemistry 46 (2022) 12237–12243; doi:10.1039/D2NJ02052A

data_7061510
_publ_section_title
;
 Single-component, metal-free, solvent-free HO-functionalized
 1,2,3-triazole-based ionic liquid catalysts for efficient CO2 conversion
;
_journal_issue                   25
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12237
_journal_page_last               12243
_journal_paper_doi               10.1039/D2NJ02052A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C14 H28 I N3 O'
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_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2021-12-17 deposited with the CCDC.	2022-05-17 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1110
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    1.750
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.120
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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^)+(0.0574P)^2^+0.6825P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9815
_reflns_number_total             16321
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj02052a2.cif
_cod_data_source_block           ART99
_cod_depositor_comments          'Adding full bibliography for 7061510.cif.'
_cod_original_cell_volume        4571.5(9)
_cod_database_code               7061510
_shelxl_version_number           2014-3
_shelx_res_checksum              91875