Silver(I) Coordination Polymer of 2,5-Bis- (4',5'-bis(methylthio)-1',3'-dithiol-2'-ylidene)- 1,3,4,6-tetrathiapentalene (TTM-TTP) and Its Highly Conductive Iodine Derivative
Jian Chu Zhong; Yohji Misaki; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka; Inorganic Chemistry 40 (2001) 7096–7098; doi:10.1021/ic010630h

data_4320771
_publ_section_title
;
 Silver(I) Coordination Polymer of 2,5-Bis-
 (4',5'-bis(methylthio)-1',3'-dithiol-2'-ylidene)-
 1,3,4,6-tetrathiapentalene (TTM-TTP) and Its Highly Conductive Iodine
 Derivative
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7096
_journal_page_last               7098
_journal_paper_doi               10.1021/ic010630h
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C15 H12 Ag F3 O3 S13 '
_chemical_formula_sum            'C15 H12 Ag F3 O3 S13'
_chemical_formula_weight         821.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.344(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.186(1)
_cell_length_b                   12.189(1)
_cell_length_c                   8.963(1)
_cell_measurement_reflns_used    41192
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.3
_cell_volume                     2640.1(4)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SAPI91
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC8'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            41192
_diffrn_reflns_theta_max         27.56
_exptl_absorpt_coefficient_mu    1.832
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.76
_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   1.042
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5289
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0220P)^2^+2.3075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0488
_reflns_number_gt                5289
_reflns_number_total             6060
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic010630h.cif
_cod_data_source_block           '[Ag(TTM-TTP)(CF3SO3)]'
_cod_original_cell_volume        2640.1(5)
_cod_original_formula_sum        'C15 H12 Ag F3 O3 S13 '
_cod_database_code               4320771