TTF–fluorene dyads and their M(CN)2− (M = Ag, Au) salts designed for photoresponsive conducting materials
Tsujimoto, Keijiro; Ogasawara, Reiko; Kishi, Yosuke; Fujiwara, Hideki; New Journal of Chemistry 38 (2014) 406–; doi:10.1039/c3nj00979c

data_7053964
_publ_section_title
;
 TTF--fluorene dyads and their M(CN)2&#x2212; (M = Ag, Au) salts designed
 for photoresponsive conducting materials
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              406
_journal_paper_doi               10.1039/c3nj00979c
_journal_volume                  38
_journal_year                    2014
_chemical_formula_moiety         'C24 H16 Au0.50 N S6 '
_chemical_formula_sum            'C24 H16 Au0.5 N S6'
_chemical_formula_weight         609.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.918(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   4.8963(16)
_cell_length_b                   29.144(10)
_cell_length_c                   16.156(6)
_cell_measurement_reflns_used    4263
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      30.9
_cell_measurement_theta_min      1.4
_cell_volume                     2305.1(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      293.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20926
_diffrn_reflns_theta_full        30.96
_diffrn_reflns_theta_max         30.96
_exptl_absorpt_coefficient_mu    3.785
_exptl_absorpt_correction_T_max  0.685
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1210.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     302
_refine_ls_number_reflns         2612
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    6.9876    -4.6244    4.8065
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0482
_reflns_number_gt                2043
_reflns_number_total             6435
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3nj00979c.txt
_cod_data_source_block           '__(2b)2[Au(CN)2]'
_cod_original_cell_volume        2305.0(13)
_cod_original_formula_sum        'C24 H16 Au0.50 N S6 '
_cod_database_code               7053964