Bis(1,3,5-triazine-2,4,6-triamine-κ<i>N</i>^1^)silver(I) nitrate
Massoud, Al-shima'a A.; Langer, Vratislav; Acta Crystallographica Section C 65 (2009) m198–m200; doi:10.1107/S0108270109013110

data_2017081
_publ_section_title
;
 Bis(1,3,5-triazine-2,4,6-triamine-\k<i>N</i>^1^)silver(I) nitrate
;
_journal_coeditor_code           DN3109
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m198
_journal_page_last               m200
_journal_paper_doi               10.1107/S0108270109013110
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C3 H6 N6)2] NO3'
_chemical_formula_moiety         'C6 H12 Ag N12 + , N O3 -'
_chemical_formula_sum            'C6 H12 Ag N13 O3'
_chemical_formula_weight         422.16
_chemical_name_systematic
;
Bis(1,3,5-triazine-2,4,6-triamine-\k<i>N</i>^1^)silver(I) nitrate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                64.2960(10)
_cell_angle_beta                 77.9150(10)
_cell_angle_gamma                67.9980(10)
_cell_formula_units_Z            2
_cell_length_a                   7.9908(5)
_cell_length_b                   9.8312(6)
_cell_length_c                   10.0569(6)
_cell_measurement_reflns_used    5531
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      33.02
_cell_measurement_theta_min      2.25
_cell_volume                     659.00(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction
'SAINT (Bruker, 2003) and SADABS (Sheldrick, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 120
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11902
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         33.02
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.575
_exptl_absorpt_correction_T_max  0.9254
_exptl_absorpt_correction_T_min  0.8096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.127
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.944
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0285
_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^)+(0.0407P)^2^+0.1354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                3957
_reflns_number_total             4651
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn3109.cif
_cod_data_source_block           I
_cod_database_code               2017081
_cod_database_fobs_code          2017081