2,2'-(<i>p</i>-Phenylene)bis(1,4,5,6-tetrahydropyrimidinium) bis[dicyanidoargentate(I)]
Jiang, Zhi-Yu; Dong, Hua-Ze; Zhang, Gong; Cheng, Lin; Acta Crystallographica Section E 64 (2008) m858–; doi:10.1107/S1600536808015791

data_2218613
_publ_section_title
;
 2,2'-(<i>p</i>-Phenylene)bis(1,4,5,6-tetrahydropyrimidinium)
 bis[dicyanidoargentate(I)]
;
_journal_coeditor_code           BT2718
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m858
_journal_paper_doi               10.1107/S1600536808015791
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '(C14 H20 N4) [Ag (C N)2]2'
_chemical_formula_moiety         'C14 H20 N4 2+ , 2C2 Ag1 N4 -'
_chemical_formula_sum            'C18 H20 Ag2 N8'
_chemical_formula_weight         564.16
_chemical_name_systematic
;
2,2'-(p-Phenylene)bis(1,4,5,6-tetrahydropyrimidinium)
bis[dicyanidoargentate(I)]
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                89.963(2)
_cell_angle_beta                 87.318(2)
_cell_angle_gamma                68.066(2)
_cell_formula_units_Z            1
_cell_length_a                   6.6930(9)
_cell_length_b                   7.2760(10)
_cell_length_c                   11.4982(15)
_cell_measurement_reflns_used    783
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.004
_cell_measurement_theta_min      2.450
_cell_volume                     518.76(12)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 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  0.0151
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4040
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.908
_exptl_absorpt_correction_T_max  0.7629
_exptl_absorpt_correction_T_min  0.7015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             278
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.329
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         2015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0373
_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^)+(0.0523P)^2^+0.1388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                1769
_reflns_number_total             2015
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2718.cif
_cod_data_source_block           I
_cod_database_code               2218613
_cod_database_fobs_code          2218613