(μ-2,11-Dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>')bis[(6-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^6^)silver(I)]: a mixed-ligand silver-based dinuclear compound
Liu, Shu-Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Ning, Gui-Ling; Munakata, Megumu; Acta Crystallographica Section C 61 (2005) m194–m196; doi:10.1107/S0108270105006372

data_2014864
_publ_section_title
;(\m-2,11-Dithia[3.3]paracyclophane-\k^2^<i>S</i>:<i>S</i>')bis[(6-carboxypyridine-2-carboxylato-\k^2^<i>N</i>,<i>O</i>^6^)silver(I)]:
 a mixed-ligand silver-based dinuclear compound
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m194
_journal_page_last               m196
_journal_paper_doi               10.1107/S0108270105006372
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ag2 (C16 H16 S2) (C7 H4 O4 N)2]'
_chemical_formula_moiety         'C30 H24 Ag2 N2 O8 S2'
_chemical_formula_sum            'C30 H24 Ag2 N2 O8 S2'
_chemical_formula_weight         820.38
_chemical_name_systematic
;
(\m-2,11-Dithia[3.3]paracyclophane-\k^2^S:S')bis[(2-carboxylatopyridine-
6-carboxylic acid-\k^2^N,O)silver(I)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.075(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.025(10)
_cell_length_b                   12.828(7)
_cell_length_c                   14.096(8)
_cell_measurement_reflns_used    4714
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2891(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2000)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11072
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    1.551
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1632.0
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.49
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3038
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          -0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0289P)^2^+3.8032P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                3038
_reflns_number_total             3250
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1220.cif
_cod_data_source_block           I
_cod_original_cell_volume        2892(3)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2014864
_cod_database_fobs_code          2014864