Information card for entry 4062087

Structure parameters

• Formula: C35 H52 Ru3
• Calculated formula: C35 H52 Ru3
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15([Ru]%16%17%18%191([CH]4=[C]3(C2%10)C)([CH2]5%11)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Thermal Skeletal Rearrangement of a nido-Ruthenacyclopentadiene Complex Involving Reversible Rapture and Formation of a Ruthenium-Ruthenium Bond
• Authors of publication: Akiko Inagaki; Toshiro Takao; Makoto Moriya; Hiroharu Suzuki
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 11
• Pages of publication: 2196 - 2198
• a: 10.949 ± 0.004 Å
• b: 17.795 ± 0.005 Å
• c: 17.362 ± 0.003 Å
• α: 90°
• β: 107.795 ± 0.017°
• γ: 90°
• Cell volume: 3221.1 ± 1.5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No