Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and properties.
Graf, Roland; Preitschopf, Tobias; Bejaoui, Younes K. J.; Schopper, Nils; Zapf, Ludwig; Knuplez, Tanja; Schneider, Leon N.; K A Jobst, Lukas; Sprenger, Jan A. P.; Wolz, Laura; Bertermann, Rüdiger; Schulte, Michael; Ignat'ev, Nikolai V.; Finze, Maik; Physical chemistry chemical physics : PCCP 28 (2026) 7304–7317; doi:10.1039/d6cp00061d

data_7251652
_publ_section_title
;
 Pentafluoroethyl(fluoro)phosphate ionic liquids: synthesis and
 properties.
;
_journal_issue                   12
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              7304
_journal_page_last               7317
_journal_paper_doi               10.1039/d6cp00061d
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C6 F18 P, C6 H11 N2'
_chemical_formula_sum            'C12 H11 F18 N2 P'
_chemical_formula_weight         556.20
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_space_group_name_Hall           'I -2ya'
_space_group_name_H-M_alt        'I 1 a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2026-01-06 deposited with the CCDC.	2026-02-19 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   14.9967(2)
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_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      77.1500
_cell_measurement_theta_min      3.2570
_cell_volume                     1912.67(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.95a (Rigaku OD, 2021)'
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_diffrn_ambient_environment      N~2~
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_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.878
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_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.111a (Rigaku Oxford Diffraction, 2021)
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            colourless
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_description       capillary
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.240
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.106
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.03(4)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1156P)^2^+0.6077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1370
_reflns_Friedel_coverage         0.702
_reflns_Friedel_fraction_full    0.756
_reflns_Friedel_fraction_max     0.698
_reflns_number_gt                3413
_reflns_number_total             3432
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6cp00061d2.cif
_cod_data_source_block           test_a
_cod_depositor_comments
'Adding full bibliography for 7251652--7251656.cif.'
_cod_original_cell_volume        1912.67(5)
_cod_original_sg_symbol_H-M      'I a'
_cod_database_code               7251652
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.348
_oxdiff_exptl_absorpt_empirical_full_max 6.939
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              5290