Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]
Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun; Acta Crystallographica Section C 65 (2009) m377–m381; doi:10.1107/S0108270109032934

data_2017364
_publ_section_title
;Two novel silver(I) coordination polymers:
 poly[(\m~2~-2-aminopyrimidine-\k^2^<i>N</i>^1^:<i>N</i>^3^)bis(\m~3~-thiocyanato-\k^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)]
 and
 poly[(2-amino-4,6-dimethylpyrimidine-\k<i>N</i>)(\m~3~-thiocyanato-\k^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]
;
_journal_coeditor_code           SQ3210
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m377
_journal_page_last               m381
_journal_paper_doi               10.1107/S0108270109032934
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 (N C S)2 (C4 H5 N3)]'
_chemical_formula_moiety         'C6 H5 Ag2 N5 S2'
_chemical_formula_sum            'C6 H54 Ag2 N5 S2'
_chemical_formula_weight         427.01
_chemical_name_systematic
;
poly[(\m~2~-2-aminopyrimidine-\k^2^<i>N</i>^1^:<i>N</i>^3^)bis(\m~3~-
thiocyanato-\k^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.719(6)
_cell_length_b                   8.159(3)
_cell_length_c                   7.326(2)
_cell_measurement_reflns_used    3087
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      56.813
_cell_measurement_theta_min      5.503
_cell_volume                     1059.1(6)
_computing_cell_refinement
;
CrysAlisPro (Oxford Diffraction, 2009)
;
_computing_data_collection
;
CrysAlisPro (Oxford Diffraction, 2009)
;
_computing_data_reduction
;
CrysAlisPro (Oxford Diffraction, 2009)
;
_computing_molecular_graphics    'DIAMOND  (Brandenburg 2008)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_measurement_method       \w
_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  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4766
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.061
_exptl_absorpt_correction_T_max  0.8227
_exptl_absorpt_correction_T_min  0.6869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.611
_refine_ls_extinction_coef       0.0019(5)
_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   1.220
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     71
_refine_ls_number_reflns         1034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0416
_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^)+(0.0353P)^2^+3.1955P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1044
_reflns_number_gt                992
_reflns_number_total             1034
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3210.cif
_cod_data_source_block           I
_cod_database_code               2017364
_cod_database_fobs_code          2017364