Reversible Mechanochromic Luminescence of [(C6F5Au)2(μ-1,4-Diisocyanobenzene)]
Hajime Ito; Tomohisa Saito; Naoya Oshima; Noboru Kitamura; Shoji Ishizaka; Yukio Hinatsu; Makoto Wakeshima; Masako Kato; Kiyoshi Tsuge; Masaya Sawamura; Journal of the American Chemical Society 130 (2008) 10044–10045; doi:10.1021/ja8019356

data_4108132
_publ_contact_author_address
;
    Department of Chemistry, Faculty of Science, Hokkaido University,
 Sapporo 060-0810, Japan
;
_publ_contact_author_email
' sawamura@sci.hokudai.ac.jp; hajito@sci.hokudai.ac.jp '
_publ_contact_author_fax         ' +81-11-706-3749 '
_publ_contact_author_name        'Hajime Ito and Masaya Sawamura'
_publ_contact_author_phone       ' +81-11-706-3434 '
_publ_section_title
;
 Reversible Mechanochromic Luminescence of
 [(C6F5Au)2(\m-1,4-Diisocyanobenzene)]
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10044
_journal_page_last               10045
_journal_paper_doi               10.1021/ja8019356
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C20 H4 Au2 F10 N2 '
_chemical_formula_sum            'C20 H4 Au2 F10 N2'
_chemical_formula_weight         856.18
_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             'Sat Sep 15 12:43:14 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90.83(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.190(2)
_cell_length_b                   17.154(6)
_cell_length_c                   10.861(4)
_cell_measurement_reflns_used    8350
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     966.8(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9973
_diffrn_measured_fraction_theta_max 0.9973
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9052
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    15.315
_exptl_absorpt_correction_T_max  0.216
_exptl_absorpt_correction_T_min  0.047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.940
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.11
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2212
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                1797
_reflns_number_total             2212
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja8019356-file002.cif
_cod_data_source_block           HI-070914-1
_cod_original_cell_volume        966(2)
_cod_original_formula_sum        'C20 H4 Au2 F10 N2 '
_cod_database_code               4108132