Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts
Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.; Acta Crystallographica Section C 57 (2001) 1162–1165; doi:10.1107/S0108270101012380

data_2012285
_publ_section_title
;
 Complexes of Ag^I^ with cationic ligands:
 bis[(pyridylmethyl)ammonio]silver(I) salts
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1162
_journal_page_last               1165
_journal_paper_doi               10.1107/S0108270101012380
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ag (C6 H9 N2)2]2 (Cl O4)6 , 2H2 O'
_chemical_formula_moiety         '2C12 H18 Ag N4 3+ , 6Cl O4 - , 2H2 O'
_chemical_formula_sum            'C24 H40 Ag2 Cl6 N8 O26'
_chemical_formula_weight         1285.08
_chemical_name_systematic
;
Bis{bis[(2-pyridylmethyl)ammonio]silver(I)} hexakis(perchlorate)
dihydrate, [Ag(C~6~H~9~N~2~)~2~]~2~(ClO~4~)~6~.2H~2~O
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.700(8)
_cell_angle_beta                 89.519(6)
_cell_angle_gamma                74.421(6)
_cell_formula_units_Z            2
_cell_length_a                   11.3358(7)
_cell_length_b                   14.5436(10)
_cell_length_c                   14.6015(17)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.545
_cell_measurement_theta_min      14.987
_cell_volume                     2262.5(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'Xtal3.5 (Hall et al., 19??)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .994
_diffrn_measured_fraction_theta_max .994
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .009
_diffrn_reflns_av_sigmaI/netI    .045
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8138
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.316
_exptl_absorpt_correction_T_max  .982
_exptl_absorpt_correction_T_min  .915
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          .44
_exptl_crystal_size_mid          .44
_exptl_crystal_size_min          .32
_refine_diff_density_max         .78
_refine_diff_density_min         -.58
_refine_ls_extinction_coef       .0067(7)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         7939
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          .107
_refine_ls_R_factor_gt           .063
_refine_ls_shift/su_max          .021
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1016P)^2^+1.328P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .181
_reflns_number_gt                5117
_reflns_number_total             7939
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vj1143.cif
_cod_data_source_block           II
_cod_original_cell_volume        2262.5(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2012285
_cod_database_fobs_code          2012285