A Novel 3-D Open Coordination Polymeric Network Assembled from Silver(I) and 4,5-Bis(cyanoethylsulfanyl)-1,3-dithiole-2-thione with S···S Contacts
Yi Ding; Jian-Chu Zhong; Megumu Munakata; Hisashi Konaka; Gui-Ling Ning; Hong-Zhi Wang; Chemistry Letters 34 (2005) 1632–; doi:10.1246/cl.2005.1632

data_8000065
_publ_section_title
;
 A Novel 3-D Open Coordination Polymeric Network Assembled from
 Silver(I) and 4,5-Bis(cyanoethylsulfanyl)-1,3-dithiole-2-thione with
 S&#x00B7;&#x00B7;&#x00B7;S Contacts
;
_journal_issue                   12
_journal_name_full               'Chemistry Letters'
_journal_page_first              1632
_journal_paper_doi               10.1246/cl.2005.1632
_journal_volume                  34
_journal_year                    2005
_chemical_formula_moiety
;
  '2(C19 H16 Ag2 F3 N4 O3 S11 +), 2(C F3 O3 S -), C3 H6 O '
;
_chemical_formula_sum            'C43 H38 Ag4 F12 N8 O13 S24'
_chemical_formula_weight         2303.71
_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                78.366(8)
_cell_angle_beta                 84.120(9)
_cell_angle_gamma                84.769(10)
_cell_formula_units_Z            1
_cell_length_a                   9.8618(5)
_cell_length_b                   11.7050(5)
_cell_length_c                   17.5577(5)
_cell_measurement_reflns_used    6445
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1969.5(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    MULTAN88
_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       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29871
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_T_max  0.749
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1136.0
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.51
_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     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     535
_refine_ls_number_reflns         8226
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0274P)^2^+1.5572P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0619
_reflns_number_gt                8226
_reflns_number_total             8887
_reflns_threshold_expression     >2.0sigma(I)
_cod_original_sg_symbol_Hall     '-p 1         '
_cod_original_sg_symbol_H-M      'p -1         '
_cod_original_formula_sum        'C43 H38 Ag4 F12 N8 O13 S24 '
_cod_database_code               8000065