Poly[bis(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>')(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cadmium(II)silver(I)]
Li, Yu-Yang; Wei, Zhen-Hong; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1313–m1314; doi:10.1107/S160053681003744X

data_2227858
_publ_section_title
;
 Poly[bis(\m~3~-thiocyanato-\k^3^<i>N</i>:<i>S</i>:<i>S</i>')(\m~2~-thiocyanato-\k^2^<i>N</i>:<i>S</i>)(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')cadmium(II)silver(I)]
;
_journal_coeditor_code           NK2062
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1313
_journal_page_last               m1314
_journal_paper_doi               10.1107/S160053681003744X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag Cd (N C S)3 (C22 H17 N3)]'
_chemical_formula_moiety         'Ag Cd (C N S)3 (C22 H17 N3)'
_chemical_formula_sum            'C25 H17 Ag Cd N6 S3'
_chemical_formula_weight         717.90
_chemical_name_systematic
;
Poly[bis(\m~3~-thiocyanato-\k^3^<i>N</i>:<i>S</i>:<i>S</i>')(\m~2~-
thiocyanato-\k^2^<i>N</i>:<i>S</i>)(4'-<i>p</i>-tolyl-2,2':6',2''-terpyridine-
\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')cadmium(II)silver(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           SHELXL-97
_cell_angle_alpha                73.045(2)
_cell_angle_beta                 69.000(2)
_cell_angle_gamma                88.231(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2431(10)
_cell_length_b                   10.7881(10)
_cell_length_c                   13.1180(12)
_cell_measurement_reflns_used    2780
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.7
_cell_volume                     1290.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART diffractometer'
_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  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6870
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.591
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0548P)^2^+0.5516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                3910
_reflns_number_total             4432
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nk2062.cif
_cod_data_source_block           I
_cod_database_code               2227858
_cod_database_fobs_code          2227858