Potassium bis[bis(1-benzyl-3-methylimidazolium)silver(I)] tris(hexafluoridophosphate)
Haque, Rosenani A.; Salman, Abbas Washeel; Whai, Choong Kah; Quah, Ching Kheng; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m97–m98; doi:10.1107/S1600536810051925

data_2228738
_publ_section_title
;
 Potassium bis[bis(1-benzyl-3-methylimidazolium)silver(I)]
 tris(hexafluoridophosphate)
;
_journal_coeditor_code           HB5767
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m97
_journal_page_last               m98
_journal_paper_doi               10.1107/S1600536810051925
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'K [Ag (C11 H12 N2)2]2 (P F6)3'
_chemical_formula_moiety         'K +, 2(C22 H24 Ag N4 +), 3(P F6 -)'
_chemical_formula_sum            'C44 H48 Ag2 F18 K N8 P3'
_chemical_formula_weight         1378.65
_chemical_name_systematic
;
Potassium bis[bis(1-benzyl-3-methylimidazolium)silver(I)]
tris(hexafluoridophosphate)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 103.108(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.917(2)
_cell_length_b                   23.047(2)
_cell_length_c                   11.5787(12)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      37.68
_cell_measurement_theta_min      2.53
_cell_volume                     5176.5(9)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII DUO CCD'
_diffrn_measurement_method       '\f and \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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            66454
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.037
_exptl_absorpt_correction_T_max  0.8467
_exptl_absorpt_correction_T_min  0.6316
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.677
_refine_diff_density_min         -0.910
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7528
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0720P)^2^+12.8353P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1236
_reflns_number_gt                7058
_reflns_number_total             7528
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5767.cif
_cod_data_source_block           I
_cod_original_cell_volume        5176.4(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2228738
_cod_database_fobs_code          2228738