Syntheses and Structures of Photochromic Silver(I) Coordination Polymers with cis-1,2-Dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene
Hisashi Konaka; Liang Ping Wu; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Inorganic Chemistry 42 (2003) 1928–1934; doi:10.1021/ic020525n

data_4313345
_publ_section_title
;
 Syntheses and Structures of Photochromic Silver(I) Coordination Polymers
 with cis-1,2-Dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1928
_journal_page_last               1934
_journal_paper_doi               10.1021/ic020525n
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C20 H18 Ag2 F6 N2 O6 S4 '
_chemical_formula_sum            'C20 H18 Ag2 F6 N2 O6 S4'
_chemical_formula_weight         840.34
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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                 103.578(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.303(9)
_cell_length_b                   10.199(1)
_cell_length_c                   13.2531(8)
_cell_measurement_reflns_used    3077
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.9
_cell_volume                     2799.0(12)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3077
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_exptl_absorpt_coefficient_mu    1.773
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1648.0
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.17
_refine_diff_density_min         -1.06
_refine_ls_extinction_coef       0.0027
_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   1.067
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1841
_refine_ls_R_factor_gt           0.0890
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1523P)^2^+50.3290P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3105
_reflns_number_gt                1841
_reflns_number_total             3077
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic020525n_1.cif
_cod_data_source_block           '[Ag2(cis-dbe)(CF3SO3)2]_(1)'
_cod_original_cell_volume        2799.0(8)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C20 H18 Ag2 F6 N2 O6 S4 '
_cod_database_code               4313345