Redox-Assisted Ring Closing Reaction of the Photogenerated Cyclophanediene Form of Bis(ferrocenyl)dimethyldihydropyrene with Interferrocene Electronic Communication Switching
Satoshi Muratsugu; Shoko Kume; Hiroshi Nishihara; Journal of the American Chemical Society 130 (2008) 7204–7205; doi:10.1021/ja8016494

data_4107879
_publ_contact_author_address
'7-3-1, Hongo, Bunkyo-ku, Tokyo, 113-0033, Japan'
_publ_contact_author_email       muratsugu@chem.s.u-tokyo.ac.jp
_publ_contact_author_fax         81-3-5841-4348
_publ_contact_author_name        'Satoshi Muratsugu'
_publ_contact_author_phone       81-3-5841-4348
_publ_section_title
;
 Redox-Assisted Ring Closing Reaction of the Photogenerated
 Cyclophanediene Form of Bis(ferrocenyl)dimethyldihydropyrene with
 Interferrocene Electronic Communication Switching
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7204
_journal_page_last               7205
_journal_paper_doi               10.1021/ja8016494
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C56 H54 Cl4 Fe2'
_chemical_formula_weight         980.49
_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             2007-04-26T17:16:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000(2)
_cell_angle_beta                 94.772(2)
_cell_angle_gamma                90.000(2)
_cell_formula_units_Z            4
_cell_length_a                   16.694(6)
_cell_length_b                   25.514(9)
_cell_length_c                   11.092(4)
_cell_measurement_reflns_used    11766
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      3.0222
_cell_volume                     4708(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            33811
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.71
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.8435
_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_description       chip
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.299
_refine_diff_density_min         -1.797
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10533
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_gt           0.0863
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1250P)^2^+17.9768P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2489
_reflns_number_gt                8397
_reflns_number_total             10533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8016494-file004.cif
_cod_data_source_block           new
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4107879