<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-μ-2,11-dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>'] hydrogenoctafluoroadipate]
Liu, Shu Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Ning, Gui Ling; Munakata, Megumu; Acta Crystallographica Section E 60 (2004) m865–m867; doi:10.1107/S1600536804012486

data_2203763
_publ_section_title
;<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-\m-2,11-dithia[3.3]paracyclophane-\k^2^<i>S</i>:<i>S</i>']
 hydrogenoctafluoroadipate]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m865
_journal_page_last               m867
_journal_paper_doi               10.1107/S1600536804012486
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag (C16 H16 S2) (C2 H3 N)2] (C6 H F8 O4)'
_chemical_formula_moiety         'C20 H22 Ag N2 S2 +, C6 H F8 O4 -'
_chemical_formula_sum            'C26 H23 Ag F8 N2 O4 S2'
_chemical_formula_weight         751.45
_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                 94.842(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7480(10)
_cell_length_b                   19.503(2)
_cell_length_c                   17.247(2)
_cell_measurement_reflns_used    4112
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2932.0(6)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11 (teXsan, 1999)'
_computing_molecular_graphics    'teXsan Ver. 1.11 '
_computing_publication_material  'teXsan Ver. 1.11 '
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR88 (Burla et al., 1989)'
_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  0.032
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11413
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1504.0
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.36
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     223
_refine_ls_number_reflns         2847
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0252P)^2^+2.7139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                2847
_reflns_number_total             3352
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6047.cif
_cod_data_source_block           I
_cod_original_cell_volume        2932.2(6)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               2203763
_cod_database_fobs_code          2203763