Bis{1,4-bis[(3-butylimidazolium-1-yl)methyl]benzene}silver(I) bis(hexafluoridophosphate)
Haque, Rosenani A.; Washeel, Abbas; Teoh, Siang Guan; Hemamalini, Madhukar; Fun, Hoong-Kun; Acta Crystallographica Section E 66 (2010) m1286–m1287; doi:10.1107/S1600536810036524

data_2227785
_publ_section_title
;
 Bis{1,4-bis[(3-butylimidazolium-1-yl)methyl]benzene}silver(I)
 bis(hexafluoridophosphate)
;
_journal_coeditor_code           LH5130
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1286
_journal_page_last               m1287
_journal_paper_doi               10.1107/S1600536810036524
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag2 (C22 H30 N4)2] (P F6)2'
_chemical_formula_moiety         '2(C22 H30 N4 Ag +), 2(F6 P -)'
_chemical_formula_sum            'C44 H60 Ag2 F12 N8 P2'
_chemical_formula_weight         1206.68
_chemical_name_systematic
;
Bis{1,4-bis[(3-butylimidazolium-1-yl)methyl]benzene}silver(I)
bis(hexafluoridophosphate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                63.528(2)
_cell_angle_beta                 89.335(2)
_cell_angle_gamma                65.811(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3636(15)
_cell_length_b                   11.4119(15)
_cell_length_c                   11.9918(15)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.12
_cell_measurement_theta_min      2.48
_cell_volume                     1241.7(3)
_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      100.00(10)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
;
Bruker APEXII DUO CCD area-detector
;
_diffrn_measurement_method       '\f and \w scans'
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            25433
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.939
_exptl_absorpt_correction_T_max  0.9295
_exptl_absorpt_correction_T_min  0.8060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.156
_refine_diff_density_min         -1.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         7142
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max_lt       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^)+(0.0678P)^2^+6.8955P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.1612
_reflns_number_gt                6512
_reflns_number_total             7142
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5130.cif
_cod_data_source_block           I
_cod_database_code               2227785
_cod_database_fobs_code          2227785