Bis[μ-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine-κ<i>N</i>^1^]bis[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]
Wang, Huan-Huan; Zhang, Chao-Yan; Cui, Yue; Gao, Qian; Xie, Ya-Bo; Acta Crystallographica Section E 66 (2010) m1496–; doi:10.1107/S1600536810043631

data_2227641
_publ_section_title
;
 Bis[\m-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine-\k<i>N</i>^1^]bis[(trifluoromethanesulfonato-\k<i>O</i>)silver(I)]
;
_journal_coeditor_code           HY2366
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1496
_journal_paper_doi               10.1107/S1600536810043631
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag2 (C F3 O3 S)2 (C11 H11 N3 S)2]'
_chemical_formula_moiety         'C24 H22 Ag2 F6 N6 O6 S4'
_chemical_formula_sum            'C24 H22 Ag2 F6 N6 O6 S4'
_chemical_formula_weight         948.50
_chemical_name_systematic
;
Bis[\m-4-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine-
\k<i>N</i>^1^]bis[(trifluoromethanesulfonato-\k<i>O</i>)silver(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                75.07(3)
_cell_angle_beta                 88.59(3)
_cell_angle_gamma                68.97(3)
_cell_formula_units_Z            1
_cell_length_a                   8.9999(18)
_cell_length_b                   9.1087(18)
_cell_length_c                   10.937(2)
_cell_measurement_reflns_used    3696
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.09
_cell_volume                     806.3(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8621
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    1.558
_exptl_absorpt_correction_T_max  0.8598
_exptl_absorpt_correction_T_min  0.7999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3681
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0438
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1378
_reflns_number_gt                3007
_reflns_number_total             3681
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2366.cif
_cod_data_source_block           I
_cod_database_code               2227641
_cod_database_fobs_code          2227641