Information card for entry 4075351

Structure parameters

• Formula: C45 H43 Cl2 N O2 P2 Ru
• Calculated formula: C45 H43 Cl2 N O2 P2 Ru
• SMILES: [Ru]123456([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C3[CH]4=[CH]5CC[C@@H]1[C@H]1C(=O)N(C(=O)[C@@H]61)c1ccccc1.[Ru]123456([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C3[CH]4=[CH]5CC[C@H]1[C@@H]1C(=O)N(C(=O)[C@H]61)c1ccccc1.ClCCl.ClCCl
• Title of publication: 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
• Authors of publication: Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2934
• a: 10.4811 ± 0.0013 Å
• b: 15.523 ± 0.003 Å
• c: 24.0006 ± 0.0012 Å
• α: 90.466 ± 0.007°
• β: 91.225 ± 0.003°
• γ: 93.021 ± 0.008°
• Cell volume: 3898.4 ± 0.9 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No