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_4338004
_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         'C20 F28 Mg1 N2'
_chemical_formula_sum            'C20 F28 Mg N2'
_chemical_formula_weight         824.53
_chemical_name_common            Mg[N(C6F5)(C4F9)]2
_chemical_name_systematic
;
Magnesium-bis[(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                61.91(3)
_cell_angle_beta                 85.492(11)
_cell_angle_gamma                74.112(5)
_cell_formula_units_Z            1
_cell_length_a                   6.785(5)
_cell_length_b                   10.022(5)
_cell_length_c                   10.497(4)
_cell_measurement_reflns_used    9565
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.2
_cell_volume                     604.6(6)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_sigmaI/netI    0.0602
_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       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5614
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.310
_exptl_absorpt_correction_T_max  1.2918
_exptl_absorpt_correction_T_min  0.6145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]

;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             398
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0460
_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^)+(0.0888P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1217
_reflns_number_gt                1952
_reflns_number_total             2368
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5001717_si_003.cif
_cod_data_source_block           fwsu044
_cod_depositor_comments
'Adding full bibliography for 4338000--4338004.cif.'
_cod_database_code               4338004
_audit_contact_author            'Joerg Sundermeyer'