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_7704013
_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 H4 Al F36 N O4'
_chemical_formula_weight         985.18
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_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   difmap
_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                81.237(3)
_cell_angle_beta                 73.421(3)
_cell_angle_gamma                62.778(4)
_cell_formula_units_Z            2
_cell_length_a                   9.6278(4)
_cell_length_b                   10.5021(4)
_cell_length_c                   16.8670(4)
_cell_measurement_reflns_used    33363
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      71.4300
_cell_measurement_theta_min      2.7140
_cell_volume                     1453.04(10)
_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 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10469
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.051
_diffrn_reflns_theta_min         2.734
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.163
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70275
_exptl_absorpt_correction_type   multi-scan
_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    2.252
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details
;
 Flack x determined using 4598 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1078
_refine_ls_number_reflns         10469
_refine_ls_number_restraints     10498
_refine_ls_restrained_S_all      0.903
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0914P)^2^+2.6562P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1498
_refine_ls_wR_factor_ref         0.1506
_reflns_Friedel_coverage         0.978
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.968
_reflns_number_gt                10310
_reflns_number_total             10469
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00592d3.cif
_cod_data_source_block           2018_02_27_MD22B_K_twin
_cod_depositor_comments
'Adding full bibliography for 7704008--7704017.cif.'
_cod_database_code               7704013
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.585
_shelx_estimated_absorpt_t_max   0.786
_shelx_res_checksum              68210