Preparation and Photochemical Behavior of Organoruthenium Derivatives of Photochromic Dithienylethene (DTE): DTE−(RRuLm)n(RRuLm= (η6-C6H5)Ru(η5-C5Me5), (η6-C6H5)RuCl2(PPh3), (η5-C5Me4)Ru(CO)2;n= 1, 2)†
Uchida, Kazunori; Inagaki, Akiko; Akita, Munetaka; Organometallics 26 (2007) 5030–; doi:10.1021/om700537s

data_4073686
_publ_section_title
;
 Preparation and Photochemical Behavior of Organoruthenium Derivatives of
 Photochromic Dithienylethene (DTE):&#x00A0; DTE&#x2212;(RRuLm)n(RRuLm=
 (\h6-C6H5)Ru(\h5-C5Me5), (\h6-C6H5)RuCl2(PPh3), (\h5-C5Me4)Ru(CO)2;n= 1,
 2)&#x2020;
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5030
_journal_paper_doi               10.1021/om700537s
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C53 H60 F18 O2 P2 S2 Ru2 '
_chemical_formula_sum            'C53 H60 F18 O2 P2 Ru2 S2'
_chemical_formula_weight         1399.23
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.007(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.918(2)
_cell_length_b                   16.0017(8)
_cell_length_c                   17.421(2)
_cell_measurement_reflns_used    14131
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5741.8(9)
_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  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      213(2)
_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  0.044
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23577
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.618
_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         0.91
_refine_diff_density_min         -1.47
_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   1.067
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5716
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          -0.0300
_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         0.1309
_reflns_number_gt                5716
_reflns_number_total             6537
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om700537s-file003.cif
_cod_data_source_block           compound_4
_cod_original_cell_volume        5741.9(8)
_cod_original_formula_sum        'C53 H60 F18 O2 P2 S2 Ru2 '
_cod_database_code               4073686