Information card for entry 4060792

Structure parameters

• Formula: C16 H24 O3 Ru
• Calculated formula: C16 H24 O3 Ru
• SMILES: [Ru]1234567([c]8([c]3([c]2([c]5([c]78C)C)C)C)C)(OO1)[CH2]=[C]6(C4C(=O)C)C
• Title of publication: Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
• Authors of publication: Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 592 - 605
• a: 8.829 ± 0.002 Å
• b: 8.526 ± 0.002 Å
• c: 21.244 ± 0.004 Å
• α: 90°
• β: 99.98 ± 0.03°
• γ: 90°
• Cell volume: 1575 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0835
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No