Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.
Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2050–2056; doi:10.1039/d0dt03437a

data_7706158
_publ_section_title
;
 Extending the chemistry of weakly basic ligands: solvates of
 Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by
 [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as
 model examples in the screening of useful weakly interacting solvents.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2050
_journal_page_last               2056
_journal_paper_doi               10.1039/d0dt03437a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         '2(C16 Al F36 O4), 2(C4 H8 Ag Cl8), C H2 Cl2'
_chemical_formula_sum            'C41 H18 Ag2 Al2 Cl18 F72 O8'
_chemical_formula_weight         2914.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;
FinalCif V79 by Daniel Kratzert, Freiburg 2020,
https://github.com/dkratzert/FinalCif
;
_audit_update_record
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;
_cell_angle_alpha                79.397(2)
_cell_angle_beta                 80.251(2)
_cell_angle_gamma                86.321(2)
_cell_formula_units_Z            1
_cell_length_a                   9.7789(3)
_cell_length_b                   15.2594(4)
_cell_length_c                   15.3111(4)
_cell_measurement_reflns_used    5405
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.2025
_cell_measurement_theta_min      2.472
_cell_volume                     2212.00(11)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection       'Bruker BIS BIS 1.2.1.21/18-Nov-2005'
_computing_data_reduction        'SAINT V8.40B'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 8.3
_diffrn_detector_type            'Bruker APEXII'
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 QUAZAR'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37459
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.203
_diffrn_reflns_theta_max         25.203
_diffrn_reflns_theta_min         1.358
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           40.0
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_description       plate
_exptl_crystal_F_000             1402
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.118
_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     882
_refine_ls_number_reflns         7798
_refine_ls_number_restraints     6897
_refine_ls_restrained_S_all      0.866
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0790P)^2^+10.9800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1583
_refine_ls_wR_factor_ref         0.1878
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4813
_reflns_number_total             7798
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03437a2.cif
_cod_data_source_block           ag(ch2cl2)4_654
_cod_depositor_comments
'Adding full bibliography for 7706158--7706165.cif.'
_cod_database_code               7706158
_shelx_shelxl_version_number     2018/3
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_shelx_res_checksum              29445