Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.
Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7766–7773; doi:10.1039/d0dt00592d

data_7704015
_publ_section_title
;
 Building blocks for the chemistry of perfluorinated alkoxyaluminates
 [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified
 preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>,
 Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>,
 N<sub>2</sub>H<sub>5</sub><sup>+</sup> and
 N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7766
_journal_page_last               7773
_journal_paper_doi               10.1039/d0dt00592d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C16 H5 Al F36 N2 O4'
_chemical_formula_weight         1000.20
_space_group_crystal_system      triclinic
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_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-31 deposited with the CCDC.	2020-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                82.791(4)
_cell_angle_beta                 73.622(4)
_cell_angle_gamma                63.240(4)
_cell_formula_units_Z            2
_cell_length_a                   9.6450(4)
_cell_length_b                   10.6675(5)
_cell_length_c                   17.0803(8)
_cell_measurement_reflns_used    15287
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.1310
_cell_measurement_theta_min      2.6480
_cell_volume                     1505.47(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17863
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.288
_diffrn_reflns_theta_min         2.696
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.076
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60642
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.077
_refine_ls_abs_structure_details
;
 Flack x determined using 4081 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.05(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1301
_refine_ls_number_reflns         10113
_refine_ls_number_restraints     15957
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0942P)^2^+0.3212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1198
_reflns_Friedel_coverage         0.931
_reflns_Friedel_fraction_full    0.963
_reflns_Friedel_fraction_max     0.914
_reflns_number_gt                10070
_reflns_number_total             10113
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00592d3.cif
_cod_data_source_block           N2H5PF_100K_a
_cod_depositor_comments
'Adding full bibliography for 7704008--7704017.cif.'
_cod_database_code               7704015
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.412
_shelx_estimated_absorpt_t_max   0.564
_shelx_res_checksum              56774