(2-Amino-4,6-dimethylpyrimidine-κ<i>N</i>^1^)(2-amino-4-methylpyrimidine-κ<i>N</i>^1^)silver(I) nitrate
Yang, Hua; Acta Crystallographica Section E 65 (2009) m1177–; doi:10.1107/S1600536809035181

data_2223452
_publ_section_title
;(2-Amino-4,6-dimethylpyrimidine-\k<i>N</i>^1^)(2-amino-4-methylpyrimidine-\k<i>N</i>^1^)silver(I)
 nitrate
;
_journal_coeditor_code           JH2100
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1177
_journal_paper_doi               10.1107/S1600536809035181
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C5 H7 N3) (C6 H9 N3)] N O3'
_chemical_formula_moiety         'C11 H16 Ag N6 +, N O3 -'
_chemical_formula_sum            'C11 H16 Ag N7 O3'
_chemical_formula_weight         402.18
_chemical_name_systematic
;
(2-Amino-4,6-dimethylpyrimidine-\k<i>N</i>^1^)(2-amino-4-methylpyrimidine-
\k<i>N</i>^1^)silver(I) nitrate
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_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                   7.5689(4)
_cell_length_b                   19.1582(7)
_cell_length_c                   20.1826(10)
_cell_measurement_reflns_used    3244
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      2.89
_cell_volume                     2926.6(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11376
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    1.403
_exptl_absorpt_correction_T_max  0.616
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.632
_refine_ls_abs_structure_details 'Flack (1983), 0 Friedel pairs'
_refine_ls_abs_structure_Flack   0.07(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         3244
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0822P)^2^+2.1516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1286
_reflns_number_gt                2647
_reflns_number_total             3244
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2100.cif
_cod_data_source_block           I
_cod_database_code               2223452
_cod_database_fobs_code          2223452