Bis[acetonitrilesilver(I)] hexafluorosilicate
Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias; Acta Crystallographica Section E 62 (2006) m2634–m2635; doi:10.1107/S1600536806037020

data_2210519
_publ_section_title
;
 Bis[acetonitrilesilver(I)] hexafluorosilicate
;
_journal_coeditor_code           BT2180
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2634
_journal_page_last               m2635
_journal_paper_doi               10.1107/S1600536806037020
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ag2 (Si F6) (C2 H3 N)2]'
_chemical_formula_moiety         'C4 H6 Ag2 F6 N2 Si1'
_chemical_formula_sum            'C4 H6 Ag2 F6 N2 Si'
_chemical_formula_weight         439.94
_chemical_name_systematic
;
poly[\m~4~-hexafluorosilicato-bis[acetonitrilesilver(I)]]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                Ag_CH3CN_SiF6_bx088_Scherr
_audit_creation_method           'form98_non/compatible with shelxl97-2'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.378(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8952(14)
_cell_length_b                   5.6792(9)
_cell_length_c                   10.1049(18)
_cell_measurement_reflns_used    753
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4992
_cell_measurement_theta_min      4.1093
_cell_volume                     510.33(15)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2005)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2005)
;
_computing_data_reduction
;
CrysAlis RED
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur3 CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0990
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4849
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         4.12
_exptl_absorpt_coefficient_mu    4.008
_exptl_absorpt_correction_T_max  0.723
_exptl_absorpt_correction_T_min  0.458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSPACK; Oxford Diffraction, 2005)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.8629(8)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.826
_refine_diff_density_min         -1.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         991
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0776P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1170
_reflns_number_gt                919
_reflns_number_total             991
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2180.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4 H6 Ag2 F6 N2 Si1'
_cod_database_code               2210519
_cod_database_fobs_code          2210519