Na[B(hfip)(4)] (hfip = OC(H)(CF(3))(2)): a weakly coordinating anion salt and its first application to prepare ionic liquids.
Bulut, Safak; Klose, Petra; Krossing, Ingo; Dalton transactions (Cambridge, England : 2003) 40 (2011) 8114–8124; doi:10.1039/c1dt10722d

data_7016523
_publ_section_title
;
 Na[B(hfip)(4)] (hfip = OC(H)(CF(3))(2)): a weakly coordinating anion
 salt and its first application to prepare ionic liquids.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8114
_journal_page_last               8124
_journal_paper_doi               10.1039/c1dt10722d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'Na C8 H16 O2, B O4 C12 H4 F24'
_chemical_formula_sum            'C20 H20 B F24 Na O6'
_chemical_formula_weight         846.16
_chemical_name_common
'sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate'
_chemical_name_systematic
;
sodium ditetrahydrofurane tetrakis(hexafluoroisoproxy)borate
;
_chemical_properties_physical    moisture-sensitive
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.32(3)
_cell_angle_beta                 85.69(3)
_cell_angle_gamma                78.66(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2805(19)
_cell_length_b                   10.964(2)
_cell_length_c                   15.890(3)
_cell_measurement_temperature    113(2)
_cell_volume                     1579.9(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28052
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.227
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Empirical Absorption Correction (T Higashi, March 2001)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       isometric
_exptl_crystal_F_000             840
_exptl_crystal_recrystallization_method
;
by sublimation during drying in vacuum (0.1 Pa) at r.t.
;
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         7219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0418P)^2^+0.5437P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1051
_reflns_number_gt                5263
_reflns_number_total             7219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10722d.txt
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1580.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016523