Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene Derivatives Assembled through η2-Coordination
Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka; Inorganic Chemistry 40 (2001) 3191–3199; doi:10.1021/ic001352+

data_4327579
_publ_section_title
;
 Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene
 Derivatives Assembled through \h2-Coordination
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3191
_journal_page_last               3199
_journal_paper_doi               10.1021/ic001352+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C42 H30 Ag4 F12 O12 S4 '
_chemical_formula_sum            'C42 H30 Ag4 F12 O12 S4'
_chemical_formula_weight         1514.38
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.703(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.285(3)
_cell_length_b                   5.032(2)
_cell_length_c                   21.405(8)
_cell_measurement_reflns_used    6058
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      4.0
_cell_volume                     2395.3(13)
_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    SIR97
_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       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6058
_diffrn_reflns_theta_max         27.59
_exptl_absorpt_coefficient_mu    1.889
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.50
_refine_diff_density_min         -1.42
_refine_ls_extinction_coef       0.0004
_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   1.136
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4123
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0154P)^2^+21.8685P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1205
_reflns_number_gt                4123
_reflns_number_total             5459
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic0013522B_2.cif
_cod_data_source_block
'[Ag2(L2)(CF3SO3)2][Ag2(toluene)2(CF3SO3)2]}n(2)'
_cod_original_cell_volume        2395(1)
_cod_original_formula_sum        'C42 H30 Ag4 F12 O12 S4 '
_cod_database_code               4327579