<i>catena</i>-Poly[[silver(I)-μ-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene] trifluoromethanesulfonate]
Broker, Grant A.; Tiekink, Edward R. T.; Acta Crystallographica Section E 63 (2007) m2442–m2442; doi:10.1107/S1600536807041888

data_2215500
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]
 trifluoromethanesulfonate]
;
_journal_coeditor_code           HB2524
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2442
_journal_page_last               m2442
_journal_paper_doi               10.1107/S1600536807041888
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C12 H10 N4)] (C F3 S O3)'
_chemical_formula_moiety         'C12 H10 Ag N4 + , C F3 O3 S -'
_chemical_formula_sum            'C13 H10 Ag F3 N4 O3 S'
_chemical_formula_weight         467.18
_chemical_name_systematic
;
catena-Poly[[silver(I)-\m-1,4-di-4-pyridyl-2,3-diazabuta-1,3-diene]
trifluoromethanesulfonate]
;
_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                75.99(3)
_cell_angle_beta                 71.09(3)
_cell_angle_gamma                83.30(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9608(18)
_cell_length_b                   8.9816(18)
_cell_length_c                   10.804(2)
_cell_measurement_reflns_used    1270
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      30.2
_cell_measurement_theta_min      3.3
_cell_volume                     797.4(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      98(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.036
_diffrn_reflns_av_sigmaI/netI    0.028
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7718
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.449
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          0.026
_refine_ls_R_factor_gt           0.025
_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^)+(0.0382P)^2^+0.6435P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.068
_refine_ls_wR_factor_ref         0.068
_reflns_number_gt                2654
_reflns_number_total             2695
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2524.cif
_cod_data_source_block           I
_cod_database_code               2215500
_cod_database_fobs_code          2215500