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_4327580
_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         'C88 H58 Ag4 Cl4 O16 '
_chemical_formula_sum            'C88 H58 Ag4 Cl4 O16'
_chemical_formula_weight         1944.70
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.438(2)
_cell_angle_beta                 103.947(1)
_cell_angle_gamma                109.7054(9)
_cell_formula_units_Z            1
_cell_length_a                   11.8376(7)
_cell_length_b                   12.547(1)
_cell_length_c                   13.151(2)
_cell_measurement_reflns_used    7566
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.9
_cell_volume                     1772.5(3)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR88
_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       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7566
_diffrn_reflns_theta_max         27.60
_exptl_absorpt_coefficient_mu    1.312
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_description       brick
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.14
_refine_diff_density_min         -1.01
_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   1.048
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6320
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0497P)^2^+2.8743P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                6320
_reflns_number_total             7566
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic0013522B_3.cif
_cod_data_source_block           '[Ag4(L4)4(ClO4)4(p-xylene)]n(3)'
_cod_original_cell_volume        1772.6(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C88 H58 Ag4 Cl4 O16 '
_cod_database_code               4327580