<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-μ-2,11-dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>'] tetrafluoroterephthalate tetrafluoroterephthalic acid acetonitrile tetrasolvate]
Liu, Shu Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Ning, Gui Ling; Munakata, Megumu; Acta Crystallographica Section E 60 (2004) m1504–m1506; doi:10.1107/S160053680402238X

data_2204314
_publ_section_title
;<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-\m-2,11-dithia[3.3]paracyclophane-\k^2^<i>S</i>:<i>S</i>']
 tetrafluoroterephthalate tetrafluoroterephthalic acid acetonitrile
 tetrasolvate]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1504
_journal_page_last               m1506
_journal_paper_doi               10.1107/S160053680402238X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
;
[Ag2 (C16 H16 S2)2 (C2 H3 N)4] (C8 F4 O4) (C8 H2 F4 O4)2, 4C2 H3 N
;
_chemical_formula_moiety
;
  'C40 H44 Ag2 N4 S4 2+, C8 F4 O4 2-, 2C8 H2 F4 O4, 4C2 H3 N'
;
_chemical_formula_sum            'C72 H60 Ag2 F12 N8 O12 S4'
_chemical_formula_weight         1801.27
_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                101.449(9)
_cell_angle_beta                 93.000(10)
_cell_angle_gamma                104.107(8)
_cell_formula_units_Z            1
_cell_length_a                   7.416(3)
_cell_length_b                   14.319(6)
_cell_length_c                   18.883(7)
_cell_measurement_reflns_used    6117
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1895.3(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corporation, 2001)'
_computing_data_reduction
'teXsan (Molecular Structure Corporation & Rigaku Corporation, 2000)'
_computing_molecular_graphics    reference?
_computing_publication_material  teXsan
_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  0.022
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14697
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             910.0
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.41
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     554
_refine_ls_number_reflns         7115
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0337P)^2^+0.5618P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                7115
_reflns_number_total             8279
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6369.cif
_cod_data_source_block           I
_cod_original_cell_volume        1895.0(10)
_cod_original_sg_symbol_Hall     '-P 1         '
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C72 H60 Ag2 F12 N8 O12 S4 '
_cod_database_code               2204314