Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) perchlorate
Zhang, Fan; Wang, Zhi-Wei; Yang, Yong-Li; Acta Crystallographica Section E 67 (2011) m1749–; doi:10.1107/S1600536811046708

data_2232645
_publ_section_title
;
 Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-\k^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)
 perchlorate
;
_journal_coeditor_code           EZ2265
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1749
_journal_paper_doi               10.1107/S1600536811046708
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C10 H6 N4)2] Cl O4'
_chemical_formula_moiety         'C20 H12 Ag Cl N8 O4'
_chemical_formula_sum            'C20 H12 Ag Cl N8 O4'
_chemical_formula_weight         571.70
_chemical_name_systematic
;
Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-
\k^2^<i>N</i>^4^,<i>N</i>^5^]silver(I) perchlorate
;
_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           SHELXL97
_cell_angle_alpha                104.015(2)
_cell_angle_beta                 92.015(2)
_cell_angle_gamma                101.171(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8804(10)
_cell_length_b                   11.3152(14)
_cell_length_c                   12.3317(14)
_cell_measurement_reflns_used    233
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      1.71
_cell_volume                     1042.8(2)
_computing_cell_refinement       '<i>APEX2</i> and <i>SAINT</i> (Bruker, 2007)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2007)'
_computing_molecular_graphics    '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_publication_material
;
<i>SHELXTL</i> (Sheldrick, 2008) and <i>PLATON</i> (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7304
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    1.144
_exptl_absorpt_correction_T_max  0.755321
_exptl_absorpt_correction_T_min  0.576687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rod
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.542
_refine_diff_density_min         -0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5075
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0341
_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^)+(0.0409P)^2^+0.4461P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0923
_reflns_number_gt                3882
_reflns_number_total             5075
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ez2265.cif
_cod_data_source_block           I
_cod_database_code               2232645
_cod_database_fobs_code          2232645