Bis[μ-3-(1<i>H</i>-pyrazol-1-yl)benzonitrile-κ^2^<i>N</i>:<i>N</i>']bis[perchloratosilver(I)]
Niu, Cao-Yuan; Zhang, Hai-Yan; Feng, Cao-Ling; Wan, Xin-Sheng; Kou, Chun-Hong; Acta Crystallographica Section E 64 (2008) m1332–m1333; doi:10.1107/S1600536808030602

data_2219646
_publ_section_title
Bis[\m-3-(1<i>H</i>-pyrazol-1-yl)benzonitrile-\k^2^<i>N</i>:<i>N</i>']bis[perchloratosilver(I)]
_journal_coeditor_code           LH2676
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1332
_journal_page_last               m1333
_journal_paper_doi               10.1107/S1600536808030602
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag2 (Cl O4)2 (C10 H7 N3)2]'
_chemical_formula_moiety         'C20 H14 Ag2 Cl2 N6 O8'
_chemical_formula_sum            'C20 H14 Ag2 Cl2 N6 O8'
_chemical_formula_weight         753.02
_chemical_name_systematic
;
Bis[\m-3-(1<i>H</i>-pyrazol-1-yl)benzonitrile-
\k^2^<i>N</i>:<i>N</i>']bis[perchloratosilver(I)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.100(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8522(13)
_cell_length_b                   10.6086(17)
_cell_length_c                   15.322(2)
_cell_measurement_reflns_used    3269
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.73
_cell_volume                     1252.5(3)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1994)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Siemens SMART 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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7721
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    1.835
_exptl_absorpt_correction_T_max  0.5579
_exptl_absorpt_correction_T_min  0.4546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.588
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2833
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0418
_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^)+(0.0532P)^2^+1.7339P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                2180
_reflns_number_total             2833
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2676.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2219646
_cod_database_fobs_code          2219646