<i>catena</i>-Poly[[silver(I)-μ-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene] methanesulfonate]
Broker, Grant A.; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m2436–m2436; doi:10.1107/S1600536807041645

data_2215137
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]
 methanesulfonate]
;
_journal_coeditor_code           HB2517
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2436
_journal_page_last               m2436
_journal_paper_doi               10.1107/S1600536807041645
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C12 H10 N4)] C H3 O3 S'
_chemical_formula_moiety         'C12 H10 Ag1 N4 +, C H3 O3 S -'
_chemical_formula_sum            'C13 H13 Ag N4 O3 S'
_chemical_formula_weight         413.22
_chemical_name_systematic
;
catena-Poly[[silver(I)-\m-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]
methanesulfonate]
;
_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
_cell_angle_beta                 113.790(7)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   25.083(9)
_cell_length_b                   12.284(4)
_cell_length_c                   21.009(7)
_cell_measurement_reflns_used    10582
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.9
_cell_volume                     5923(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.048
_diffrn_reflns_av_sigmaI/netI    0.031
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37758
_diffrn_reflns_theta_full        26.5
_diffrn_reflns_theta_max         26.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.520
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3296
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.98
_refine_diff_density_min         -1.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6151
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.16
_refine_ls_R_factor_all          0.057
_refine_ls_R_factor_gt           0.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.056P)^2^+41.7048P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.130
_refine_ls_wR_factor_ref         0.132
_reflns_number_gt                5879
_reflns_number_total             6151
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2517.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C13 H13 Ag1 N4 O3 S1'
_cod_database_code               2215137
_cod_database_fobs_code          2215137