A photoswitchable molecular wire with the dithienylethene (DTE) linker, (dppe)(eta(5)-C(5)Me(5))Fe-C[triple bond, length as m-dash]C-DTE-C[triple bond, length as m-dash]C-Fe(eta(5)-C(5)Me(5))(dppe).
Tanaka, Yuya; Inagaki, Akiko; Akita, Munetaka; Chemical communications (Cambridge, England)  (2007) 1169–1171; doi:10.1039/b614748h

data_7101770
_publ_section_title
;
 A photoswitchable molecular wire with the dithienylethene (DTE)
 linker, (dppe)(eta(5)-C(5)Me(5))Fe-C[triple bond, length as
 m-dash]C-DTE-C[triple bond, length as
 m-dash]C-Fe(eta(5)-C(5)Me(5))(dppe).
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1169
_journal_page_last               1171
_journal_paper_doi               10.1039/b614748h
_journal_year                    2007
_chemical_formula_moiety         'C92 H88 F6 P4 S2 Cl2 Fe2 '
_chemical_formula_sum            'C92 H88 Cl2 F6 Fe2 P4 S2'
_chemical_formula_weight         1678.31
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.39(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   42.28(2)
_cell_length_b                   16.460(8)
_cell_length_c                   12.019(5)
_cell_measurement_reflns_used    48177
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     8364(6)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.101
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            57814
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.595
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.13
_refine_diff_density_min         -1.08
_refine_ls_extinction_coef       0.0000
_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   1.091
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     985
_refine_ls_number_reflns         13064
_refine_ls_R_factor_gt           0.0817
_refine_ls_shift/su_max          -0.0320
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1996
_reflns_number_gt                13064
_reflns_number_total             18616
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b614748h.txt
_cod_data_source_block           compound_2_CH2Cl2
_cod_original_formula_sum        'C92 H88 F6 P4 S2 Cl2 Fe2 '
_cod_database_code               7101770