Poly[bis(μ~2~-cyanido)-κ^2^<i>C</i>:<i>N</i>;κ^2^<i>N</i>:<i>C</i>-(μ~2~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylthiourea-κ^2^<i>S</i>:<i>S</i>)disilver(I)]
Hanif, Muhammad; Ahmad, Saeed; Altaf, Muhammad; Stoeckli-Evans, Helen; Acta Crystallographica Section E 63 (2007) m2594–m2594; doi:10.1107/S1600536807044844

data_2215366
_publ_section_title
Poly[bis(\m~2~-cyanido)-\k^2^<i>C</i>:<i>N</i>;\k^2^<i>N</i>:<i>C</i>-(\m~2~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylthiourea-\k^2^<i>S</i>:<i>S</i>)disilver(I)]
_journal_coeditor_code           BQ2035
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2594
_journal_page_last               m2594
_journal_paper_doi               10.1107/S1600536807044844
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 (CN)2 (C5 H12 N2 S)]'
_chemical_formula_moiety         'C7 H12 Ag2 N4 S'
_chemical_formula_sum            'C7 H12 Ag2 N4 S'
_chemical_formula_weight         400.01
_chemical_name_common
<i>catena</i>-{[(\m-Tetramethylthiourea-<i>S</i>)Ag][(Ag(CN)~2~]}
_chemical_name_systematic
;
Poly[di-\m~2~-cyanido-\k^2^C:N;\k^2^N:C-\m~2~-N,N,N',N'-
tetramethylthiourea-\k^2^S:S-disilver(I)]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.3563(4)
_cell_length_b                   15.6735(11)
_cell_length_c                   20.9978(16)
_cell_measurement_reflns_used    23959
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.62
_cell_measurement_theta_min      1.79
_cell_volume                     2421.0(3)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2005)'
_computing_data_collection       'X-Area (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2005)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and MERCURY (Macrae <i>et al.</i>,  2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       '\f and \w 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  0.0703
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            32772
_diffrn_reflns_theta_full        29.30
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.377
_exptl_absorpt_correction_T_max  0.7093
_exptl_absorpt_correction_T_min  0.4018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULscanABS in PLATON; Spek, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.939
_refine_ls_extinction_coef       0.00073(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         3284
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0265P)^2^+3.3418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                2731
_reflns_number_total             3284
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2035.cif
_cod_data_source_block           I
_cod_database_code               2215366
_cod_database_fobs_code          2215366