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_2017365
_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          '[Ag (N C S) (C6 H9 N3)]'
_chemical_formula_moiety         'C7 H9 Ag1 N4 S1'
_chemical_formula_sum            'C7 H9 Ag N4 S'
_chemical_formula_weight         289.11
_chemical_name_systematic
;
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)]
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   20.955(4)
_cell_length_b                   11.282(2)
_cell_length_c                   24.166(5)
_cell_measurement_reflns_used    4693
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      56.300
_cell_measurement_theta_min      4.433
_cell_volume                     5713.2(19)
_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      173(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1154
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            29723
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.292
_exptl_absorpt_correction_T_max  0.8379
_exptl_absorpt_correction_T_min  0.7549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.385
_refine_diff_density_min         -0.721
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         5603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0627P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                3440
_reflns_number_total             5603
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3210.cif
_cod_data_source_block           II
_cod_original_cell_volume        5713(2)
_cod_original_formula_sum        'C7 H9 Ag1 N4 S1'
_cod_database_code               2017365
_cod_database_fobs_code          2017365