Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2
T. Stanley Cameron; Andreas Decken; Ingo Krossing; Jack Passmore; J. Mikko Rautiainen; Xinping Wang; Xiaoqing Zeng; Inorganic Chemistry 52 (2013) 3113–3126; doi:10.1021/ic3025793

data_4334182
_publ_contact_author_address
;
 Department of Chemistry, University of New Brunswick, Fredericton, 
 New Brunswick, E3B 5A3, Canada
;
_publ_contact_author_email       passmore.at.unb.ca
_publ_contact_author_fax         1-506-453-4981
_publ_contact_author_name        'Jack Passmore'
_publ_contact_author_phone       1-506-453-4821
_publ_section_title
;
 Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of
 Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al]
 = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with
 [Ag(18-Crown-6)]2[SbF6]2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3113
_journal_page_last               3126
_journal_paper_doi               10.1021/ic3025793
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C24 H36 Ag Al F28 O9 Si6'
_chemical_formula_sum            'C24 H36 Ag Al F28 O9 Si6'
_chemical_formula_weight         1303.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.199(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.990(3)
_cell_length_b                   21.368(4)
_cell_length_c                   18.082(4)
_cell_measurement_reflns_used    6244
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      28.06
_cell_measurement_theta_min      2.45
_cell_volume                     5011.2(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'Bruker SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(1)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD arAXS SMART1000/P4'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0692
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34368
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.48
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              K760
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.709
_exptl_absorpt_correction_T_max  28.0625
_exptl_absorpt_correction_T_min  2.4475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.195
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         11207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.1306
_refine_ls_R_factor_gt           0.0686
_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^)+(0.1131P)^2^+0.2218P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1988
_refine_ls_wR_factor_ref         0.2163
_reflns_number_gt                6437
_reflns_number_total             11207
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic3025793_si_002_3.cif
_cod_data_source_block           AgD6_AlFpftb3_CCDC_902385
_cod_original_cell_volume        5011.3(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4334182