Synthesis and lewis acidity of fluorinated triaryl borates.
Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.; Dalton transactions (Cambridge, England : 2003) 52 (2023) 1820–1825; doi:10.1039/d2dt04095f

data_7712119
_publ_section_title
;
 Synthesis and lewis acidity of fluorinated triaryl borates.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1820
_journal_page_last               1825
_journal_paper_doi               10.1039/d2dt04095f
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C18 H12 B F3 O3'
_chemical_formula_sum            'C18 H12 B F3 O3'
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_audit_update_record
;
2022-09-21 deposited with the CCDC.	2023-01-13 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      200(2)
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'w/ scans'
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_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        67.679
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_diffrn_reflns_theta_min         4.292
_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.42.54a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_description       needle
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.437
_exptl_crystal_size_mid          0.337
_exptl_crystal_size_min          0.272
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_refine_diff_density_min         -0.282
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_refine_ls_extinction_coef       0.0078(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1073P)^2^+0.0584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1845
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2401
_reflns_number_total             3126
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt04095f2.cif
_cod_data_source_block           RM2241_a
_cod_depositor_comments
'Adding full bibliography for 7712118--7712120.cif.'
_cod_database_code               7712119
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.668
_shelx_estimated_absorpt_t_max   0.772
_shelx_res_checksum              97088