Bis{tris[μ-2-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^1^:κ<i>N</i>^2^)pyridinato-κ<i>N</i>]trisilver(I)}(2<i>Ag</i>—<i>Ag</i>)
Rong Li; Acta Crystallographica Section E 63 (2007) m1640–m1640; doi:10.1107/S1600536807022581

data_2213833
_publ_section_title
Bis{tris[\m-2-(1<i>H</i>-pyrazol-3-yl-\k<i>N</i>^1^:\k<i>N</i>^2^)pyridinato-\k<i>N</i>]trisilver(I)}(2<i>Ag</i>---<i>Ag</i>)
_journal_coeditor_code           HK2246
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1640
_journal_page_last               m1640
_journal_paper_doi               10.1107/S1600536807022581
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag6 (C8 H6 N3)6]'
_chemical_formula_moiety         'C48 H36 Ag6 N18'
_chemical_formula_sum            'C48 H36 Ag6 N18'
_chemical_formula_weight         1512.17
_chemical_name_systematic
;
Bis{tris[\m-2-(1<i>H</i>-pyrazol-3-yl-\k<i>N</i>^1^:\k<i>N</i>^2^)pyridinato-
\k<i>N</i>]trisilver(I)}(2 Ag---Ag)
;
_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_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.5599(17)
_cell_length_b                   8.5424(13)
_cell_length_c                   25.389(4)
_cell_measurement_reflns_used    4311
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.9200
_cell_measurement_theta_min      2.5226
_cell_volume                     2441.3(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detecter'
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            11942
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.416
_exptl_absorpt_correction_T_max  0.7942
_exptl_absorpt_correction_T_min  0.6185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.285
_refine_ls_extinction_coef       0.00435(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0265
_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^)+(0.0176P)^2^+0.4151P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                3045
_reflns_number_total             4272
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2246.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2213833
_cod_database_fobs_code          2213833