Bis[μ-4'-(2-pyridyl)-2,2':6',2''-terpyridine]disilver(I) bis(hexafluorophosphate)
Hou, Lei; Li, Dan; Ng, Seik Weng; Acta Crystallographica Section E 61 (2005) m404–m406; doi:10.1107/S1600536805002618

data_2205005
_publ_section_title
;
 Bis[\m-4'-(2-pyridyl)-2,2':6',2''-terpyridine]disilver(I)
 bis(hexafluorophosphate)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m404
_journal_page_last               m406
_journal_paper_doi               10.1107/S1600536805002618
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ag2 (C20 H14 N4)2] (P F6)2'
_chemical_formula_moiety         '2C20 H14 N4 Ag +, 2P F6 -'
_chemical_formula_sum            'C40 H28 Ag2 F12 N8 P2'
_chemical_formula_weight         1126.38
_chemical_melting_point          598
_chemical_name_systematic
;
Bis[\m-4'-(2-pyridyl)-2,2':6',2''-terpyridine]disilver(I)
bis(hexafluorophosphate)
;
_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                 120.050(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.454(3)
_cell_length_b                   15.749(3)
_cell_length_c                   14.603(3)
_cell_measurement_reflns_used    3734
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      23.6
_cell_measurement_theta_min      2.3
_cell_volume                     4071.8(13)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_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  0.034
_diffrn_reflns_av_sigmaI/netI    0.037
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17230
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.684
_refine_diff_density_min         -0.623
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4656
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0681
_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^)+(0.0875P)^2^+15.7707P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1942
_refine_ls_wR_factor_ref         0.2028
_reflns_number_gt                3706
_reflns_number_total             4656
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6584.cif
_cod_data_source_block           I
_cod_original_cell_volume        4071.9(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2205005
_cod_database_fobs_code          2205005