Mobility of Silver(I) Ions around the Propeller Ligand, Hexaphenylbenzene (HPB), in Silver(I) π-Complexes
Gui Ling Ning; Megumu Munakata; Liang Ping Wu; Masahiko Maekawa; Yusaku Suenaga; Takayoshi Kuroda-Sowa; Kunihisa Sugimoto; Inorganic Chemistry 38 (1999) 5668–5673; doi:10.1021/ic990143q

data_4322492
_publ_section_title
;
 Mobility of Silver(I) Ions around the Propeller Ligand, Hexaphenylbenzene
 (HPB), in Silver(I) \p-Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5668
_journal_page_last               5673
_journal_paper_doi               10.1021/ic990143q
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'C21 H15 Ag2 Cl2 O8 '
_chemical_formula_sum            'C21 H15 Ag2 Cl2 O8'
_chemical_formula_weight         681.99
_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'
_audit_creation_date             'Tue Jan 19 13:17:38 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.08(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.543(2)
_cell_length_b                   11.934(4)
_cell_length_c                   16.884(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      16.9
_cell_measurement_theta_min      14.1
_cell_volume                     2119.0(9)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00523
_diffrn_orient_matrix_UB_12      -0.06362
_diffrn_orient_matrix_UB_13      0.03864
_diffrn_orient_matrix_UB_21      -0.08621
_diffrn_orient_matrix_UB_22      -0.02599
_diffrn_orient_matrix_UB_23      -0.02079
_diffrn_orient_matrix_UB_31      0.03980
_diffrn_orient_matrix_UB_32      -0.04793
_diffrn_orient_matrix_UB_33      -0.04001
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_av_sigmaI/netI    0.082
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5116
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        -1.55
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.144
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.883
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1332.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.22
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.602
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           diagonal
_refine_ls_number_constraints    0
_refine_ls_number_parameters     330
_refine_ls_number_reflns         2557
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.0020
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0523
_refine_ls_wR_factor_ref         0.0523
_reflns_number_gt                2557
_reflns_number_total             4859
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic990143q_1.cif
_cod_data_source_block           '[Ag4(HPB)](ClO4)4'
_cod_original_cell_volume        2118.9(8)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C21 H15 Ag2 Cl2 O8 '
_cod_database_code               4322492