Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes
Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki; Organometallics 25 (2006) 2934–; doi:10.1021/om060242t

data_4075351
_publ_section_title
;
 Formation of Divalent Ruthenacycles via Oxidative Cyclization of
 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides:&#x00A0; An
 Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of
 1,3,5-Trienes and Alkenes
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2934
_journal_paper_doi               10.1021/om060242t
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C45 H43 Cl2 N O2 P2 Ru '
_chemical_formula_sum            'C45 H43 Cl2 N O2 P2 Ru'
_chemical_formula_weight         863.76
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.466(7)
_cell_angle_beta                 91.225(3)
_cell_angle_gamma                93.021(8)
_cell_formula_units_Z            4
_cell_length_a                   10.4811(13)
_cell_length_b                   15.523(3)
_cell_length_c                   24.0006(12)
_cell_measurement_reflns_used    14424
_cell_measurement_temperature    143.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.6
_cell_volume                     3898.4(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.849
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28588
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1776.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.55
_refine_diff_density_min         -1.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1041
_refine_ls_number_reflns         15178
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 2.0000\s(Fo^2^) + 0.2000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1499
_reflns_number_gt                9983
_reflns_number_total             15192
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060242tsi20060316_111701.cif
_cod_data_source_block           '_complex_11a'
_cod_original_cell_volume        3898.3(9)
_cod_original_formula_sum        'C45 H43 Cl2 N O2 P2 Ru '
_cod_database_code               4075351