Information card for entry 4060793

Structure parameters

• Formula: C16 H22 O2 Ru
• Calculated formula: C16 H22 O2 Ru
• SMILES: [Ru]12345678([O]=[C]3(C6[C]5(C)=[CH2]7)C)[c]3([c]1(C)[c]8([c]2([c]43C)C)C=O)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: 9.841 ± 0.003 Å
• b: 13.594 ± 0.004 Å
• c: 11.172 ± 0.012 Å
• α: 90 ± 0.012°
• β: 92.89 ± 0.06°
• γ: 90 ± 0.06°
• Cell volume: 1492.7 ± 1.7 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: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0951
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No