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_4075350
_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         'C27 H31 N O3 Ru '
_chemical_formula_sum            'C27 H31 N O3 Ru'
_chemical_formula_weight         518.62
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   15.4164(9)
_cell_length_b                   13.1723(7)
_cell_length_c                   21.0485(4)
_cell_measurement_reflns_used    21219
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.0
_cell_volume                     4274.3(3)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.992
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.148
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            23658
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.431
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2144.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.55
_refine_diff_density_min         -1.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4859
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.3000\s(Fo^2^) + 1.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                2701
_reflns_number_total             4862
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060242tsi20060316_111701.cif
_cod_data_source_block           '_complex_4e'
_cod_original_formula_sum        'C27 H31 N O3 Ru '
_cod_database_code               4075350