Information card for entry 4060791

Structure parameters

• Formula: C22 H36 O Ru
• Calculated formula: C22 H36 O Ru
• SMILES: [Ru]12345678([CH2]=[C]1(C2[C]3(=[O]8)C(C)(C)C)C(C)(C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)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: 11.604 ± 0.002 Å
• b: 13.304 ± 0.003 Å
• c: 13.488 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.112
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No