<i>catena</i>-Poly[[silver(I)-μ-1,4-di-3-pyridyl-2,3-diazabuta-1,3-diene] methanesulfonate]
Broker, Grant A.; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m2467–m2467; doi:10.1107/S1600536807042419

data_2215502
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-1,4-di-3-pyridyl-2,3-diazabuta-1,3-diene]
 methanesulfonate]
;
_journal_coeditor_code           HB2526
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2467
_journal_page_last               m2467
_journal_paper_doi               10.1107/S1600536807042419
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C12 H10 N4)] (C H3 S O3)'
_chemical_formula_moiety         'C12 H10 Ag N4 +, C H3 O3 S -'
_chemical_formula_sum            'C13 H13 Ag N4 O3 S'
_chemical_formula_weight         413.21
_chemical_name_systematic
;
catena-Poly[[silver(I)-\m-1,4-di-3-pyridyl-2,3-diazabuta-1,3-diene]
methanesulfonate]
;
_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                106.500(10)
_cell_angle_beta                 91.120(10)
_cell_angle_gamma                106.500(10)
_cell_formula_units_Z            2
_cell_length_a                   7.7818(13)
_cell_length_b                   9.6799(16)
_cell_length_c                   9.9742(15)
_cell_measurement_reflns_used    6258
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      29.7
_cell_measurement_theta_min      2.8
_cell_volume                     686.6(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku AFC12\k Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.025
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4287
_diffrn_reflns_theta_full        26.5
_diffrn_reflns_theta_max         26.5
_diffrn_reflns_theta_min         2.6
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.638
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.33
_refine_diff_density_min         -1.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2793
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.09
_refine_ls_R_factor_all          0.046
_refine_ls_R_factor_gt           0.044
_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^)+(0.0581P)^2^+3.8177P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.112
_refine_ls_wR_factor_ref         0.115
_reflns_number_gt                2686
_reflns_number_total             2793
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2526.cif
_cod_data_source_block           I
_cod_original_cell_volume        686.63(19)
_cod_database_code               2215502
_cod_database_fobs_code          2215502