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_4322494
_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         'C25 H23 Ag Cl O5 '
_chemical_formula_sum            'C25 H23 Ag Cl O5'
_chemical_formula_weight         546.77
_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 Feb  9 08:29:00 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 99.98(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.321(3)
_cell_length_b                   12.511(4)
_cell_length_c                   16.357(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      12.2
_cell_volume                     2281.7(10)
_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    SIR88
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.02275
_diffrn_orient_matrix_UB_12      0.04610
_diffrn_orient_matrix_UB_13      0.04474
_diffrn_orient_matrix_UB_21      -0.08280
_diffrn_orient_matrix_UB_22      -0.03070
_diffrn_orient_matrix_UB_23      -0.01092
_diffrn_orient_matrix_UB_31      0.02592
_diffrn_orient_matrix_UB_32      -0.05762
_diffrn_orient_matrix_UB_33      0.04162
_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  0.071
_diffrn_reflns_av_sigmaI/netI    0.220
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3606
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        -5.58
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1108.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.438
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     289
_refine_ls_number_reflns         1244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0555
_reflns_number_gt                1244
_reflns_number_total             3430
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic990143q_3.cif
_cod_data_source_block           '[Ag2(HPB)(ClO4)2(THF)2]'
_cod_original_cell_volume        2281.7(9)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C25 H23 Ag Cl O5 '
_cod_database_code               4322494