<i>catena</i>-Poly[[bis[(dicyanamido)silver(I)](<i>Ag</i>—<i>Ag</i>)]-μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Zhang, Jinfang; Acta Crystallographica Section E 65 (2009) m1703–; doi:10.1107/S1600536809050491

data_2224407
_publ_section_title
<i>catena</i>-Poly[[bis[(dicyanamido)silver(I)](<i>Ag</i>---<i>Ag</i>)]-\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           PV2240
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1703
_journal_paper_doi               10.1107/S1600536809050491
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 (C2 N3)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C14 H8 Ag2 N8'
_chemical_formula_sum            'C14 H8 Ag2 N8'
_chemical_formula_weight         504.02
_chemical_name_systematic
;<i>catena</i>-Poly[[bis[(dicyanamido)silver(I)](<i>Ag</i>---<i>Ag</i>)]-\m~2~-
4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_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           'SHELXTL (Sheldrick, 2008)'
_cell_angle_alpha                88.83(3)
_cell_angle_beta                 84.09(3)
_cell_angle_gamma                77.54(3)
_cell_formula_units_Z            1
_cell_length_a                   6.1867(12)
_cell_length_b                   7.8344(16)
_cell_length_c                   7.9649(16)
_cell_measurement_reflns_used    1687
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6922
_cell_measurement_theta_min      2.5709
_cell_volume                     374.95(14)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       dtprofit.ref
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2474
_diffrn_reflns_theta_full        25.48
_diffrn_reflns_theta_max         25.48
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.625
_exptl_absorpt_correction_T_max  0.6635
_exptl_absorpt_correction_T_min  0.4065
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             242
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.699
_refine_ls_extinction_coef       0.055(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         1358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.236
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0334
_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^)+(0.0601P)^2^+0.1547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                1315
_reflns_number_total             1358
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            pv2240.cif
_cod_data_source_block           I
_cod_depositor_comments
;

2020-03-19
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C7 H4 Ag N4'
_cod_original_formula_weight         252.01
_cod_original_formula_moiety         'C7 H4 Ag N4'
_cod_original_formula_units_Z            2
_cod_original_cell_volume        374.95(13)
_cod_database_code               2224407
_cod_database_fobs_code          2224407