The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.
Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg; Inorganic chemistry 53 (2014) 3839–; doi:10.1021/ic5001717

data_4338001
_publ_section_title
;
 The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile
 Alkaline and Earth Alkaline Metal Salts.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3839
_journal_paper_doi               10.1021/ic5001717
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C10 F14 N1 Na1'
_chemical_formula_sum            'C10 F14 N Na'
_chemical_formula_weight         423.10
_chemical_name_common            NaN(C6F5)(C4F9)
_chemical_name_systematic
;
Sodium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                64.0980(17)
_cell_angle_beta                 75.0294(19)
_cell_angle_gamma                74.6100(20)
_cell_formula_units_Z            2
_cell_length_a                   6.9421(5)
_cell_length_b                   9.8740(6)
_cell_length_c                   10.4269(6)
_cell_measurement_reflns_used    13213
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.3468
_cell_measurement_theta_min      4.1273
_cell_volume                     611.46(7)
_computing_cell_refinement       'APEX2 v2012.10-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v3.0.26'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.24
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.318
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         2457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0350
_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^)+(0.0472P)^2^+0.3225P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                2120
_reflns_number_total             2457
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5001717_si_003.cif
_cod_data_source_block           natbuf9_0m
_cod_depositor_comments
'Adding full bibliography for 4338000--4338004.cif.'
_cod_database_code               4338001
_audit_contact_author            'Joerg Sundermeyer'