<i>catena</i>-Poly[[[(iminodiacetato-κ<i>O</i>)silver(I)]-μ~3~-2-aminopyrimidine-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]: a one-dimensional silver(I) coordination polymer with mixed ligands
Sun, Di; Luo, Geng-Geng; Huang, Rong-Bin; Zhang, Na; Zheng, Lan-Sun; Acta Crystallographica Section C 65 (2009) m305–m307; doi:10.1107/S010827010902695X

data_2017210
_publ_section_title
;<i>catena</i>-Poly[[[(iminodiacetato-\k<i>O</i>)silver(I)]-\m~3~-2-aminopyrimidine-\k^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^]
 monohydrate]: a one-dimensional silver(I) coordination polymer with mixed
 ligands
;
_journal_coeditor_code           BM3083
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m305
_journal_page_last               m307
_journal_paper_doi               10.1107/S010827010902695X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C4 H6 N O4) (C4 H5 N3)] , H2 O'
_chemical_formula_moiety         'C8 H11 Ag N4 O4 , H2 O'
_chemical_formula_sum            'C8 H13 Ag N4 O5'
_chemical_formula_weight         353.09
_chemical_name_systematic
;
<i>catena</i>-Poly[[[(iminodiacetato-\k<i>O</i>)silver(I)]-\m~3~-2-
aminopyrimidine-\k^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^] monohydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 113.49(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.495(3)
_cell_length_b                   6.5202(13)
_cell_length_c                   14.103(3)
_cell_measurement_reflns_used    8629
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      54.88
_cell_measurement_theta_min      6.06
_cell_volume                     1138.1(5)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK~\a~
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9403
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.793
_exptl_absorpt_correction_T_max  0.6153
_exptl_absorpt_correction_T_min  0.4676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.673
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         2230
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0289P)^2^+0.7853P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                2013
_reflns_number_total             2230
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm3083.cif
_cod_data_source_block           I
_cod_original_cell_volume        1138.1(4)
_cod_database_code               2017210
_cod_database_fobs_code          2017210