A Double-Decker Silver(I) Coordination Polymer of 1-Methylpyrene with Columnar Aromatic Stacks. Effect of Substituting Groups on Structure of Silver(I) Complexes with Polycyclic Aromatic Hydrocarbons
Megumu Munakata; Jian Chu Zhong; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Masae Kasahara; Hisashi Konaka; Inorganic Chemistry 40 (2001) 7087–7090; doi:10.1021/ic010668u

data_4320778
_publ_section_title
;
 A Double-Decker Silver(I) Coordination Polymer of 1-Methylpyrene with
 Columnar Aromatic Stacks. Effect of Substituting Groups on Structure of
 Silver(I) Complexes with Polycyclic Aromatic Hydrocarbons
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7087
_journal_page_last               7090
_journal_paper_doi               10.1021/ic010668u
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         '2(C34 H24 Ag2 Cl2 O8), C6 H6'
_chemical_formula_sum            'C74 H54 Ag4 Cl4 O16'
_chemical_formula_weight         1772.52
_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                91.15(2)
_cell_angle_beta                 112.95(2)
_cell_angle_gamma                108.93(2)
_cell_formula_units_Z            1
_cell_length_a                   11.451(3)
_cell_length_b                   14.796(2)
_cell_length_c                   11.029(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     1604.4(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR88
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7753
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0.28
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  0.750
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             882.0
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.10
_refine_diff_density_min         -0.80
_refine_ls_extinction_coef       0.0079
_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   1.047
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     452
_refine_ls_number_reflns         4709
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1031P)^2^+0.8973P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1864
_reflns_number_gt                4709
_reflns_number_total             7378
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic010668u.cif
_cod_data_source_block           ag-mpyr-clo4
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C74 H54 Ag4 Cl4 O16 '
_cod_database_code               4320778