Poly[[μ~3~-chlorido-bis(μ~2~-thiourea-κ<i>S</i>)disilver(I)] nitrate]
Ahmad, Saeed; Saddiqa, Aisha; Monim-ul-Mehboob, Muhammad; Altaf, Muhammad; Stoeckli-Evans, Helen; Acta Crystallographica Section E 66 (2010) m1072–m1073; doi:10.1107/S1600536810030953

data_2227197
_publ_section_title
;
 Poly[[\m~3~-chlorido-bis(\m~2~-thiourea-\k<i>S</i>)disilver(I)]
 nitrate]
;
_journal_coeditor_code           BT5309
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1072
_journal_page_last               m1073
_journal_paper_doi               10.1107/S1600536810030953
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag2 Cl (C H4 N2 S)2] N O3'
_chemical_formula_moiety         'C2 H8 Ag2 Cl N4 S2 +, N O3 -'
_chemical_formula_sum            'C2 H8 Ag2 Cl N5 O3 S2'
_chemical_formula_weight         465.44
_chemical_name_systematic
;
Poly[[\m~3~-chlorido-bis(\m~2~-thiourea-\k<i>S</i>)disilver(I)] nitrate]
;
_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                83.041(14)
_cell_angle_beta                 82.868(14)
_cell_angle_gamma                77.312(14)
_cell_formula_units_Z            2
_cell_length_a                   6.3981(8)
_cell_length_b                   7.7060(9)
_cell_length_c                   11.8478(14)
_cell_measurement_reflns_used    5310
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.65
_cell_volume                     562.80(12)
_computing_cell_refinement       'CELL (Stoe & Cie, 2004)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 2004)'
_computing_data_reduction        'INTEGRATE (Stoe & Cie, 2004)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material
'PLATON (Spek, 2009) and SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f 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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4473
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         2.72
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.082
_exptl_absorpt_correction_T_max  1.3532
_exptl_absorpt_correction_T_min  0.7705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULscanABS in PLATON; Spek, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.494
_refine_diff_density_min         -1.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0440
_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^)+(0.0795P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                1682
_reflns_number_total             2055
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5309.cif
_cod_data_source_block           I
_cod_database_code               2227197
_cod_database_fobs_code          2227197