New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.
Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.; Journal of the American Chemical Society 138 (2016) 7820–7823; doi:10.1021/jacs.6b03366

data_4125106
_publ_section_title
;
 New Insights Into the Role of Imidazolium-Based Promoters for the
 Electroreduction of CO2 on a Silver Electrode.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7820
_journal_page_last               7823
_journal_paper_doi               10.1021/jacs.6b03366
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C11 H13 N2, B F4'
_chemical_formula_sum            'C11 H13 B F4 N2'
_chemical_formula_weight         260.04
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_primary     direct
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_audit_update_record
;
2016-02-23 # Formatted by publCIF

;
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_detector_area_resol_mean 10.2665
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.852
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_exptl_absorpt_coefficient_mu    0.128
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; 
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            'clear intense colourless'
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_refine_ls_number_reflns         5759
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.316
_refine_ls_R_factor_all          0.2269
_refine_ls_R_factor_gt           0.1784
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4191
_refine_ls_wR_factor_ref         0.4608
_reflns_number_gt                2870
_reflns_number_total             5759
_reflns_threshold_expression     >2sigma(I)
_publcif_datablock.id            {47854425-0115-48e7-b54f-dc1293614752}
_publcif_info_exptl_table_max_cols 4
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_cod_data_source_file            ja6b03366_si_002.cif
_cod_data_source_block           dv7
_cod_depositor_comments
'Adding full bibliography for 4125103--4125106.cif.'
_cod_original_cell_volume        1210.3(4)
_cod_database_code               4125106