Information card for entry 4062086

Structure parameters

• Formula: C36 H54 Ru3
• Calculated formula: C36 H52 Ru3
• SMILES: [Ru]1234567([Ru]89%10%11%12%13%14([C]%152=[C]28([Ru]8%16%17%18%191%15([C]92(=[CH]3%108)C)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)C)[c]1([c]%14([c]%13([c]%12([c]%111C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)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: 18.44 ± 0.002 Å
• b: 22.5372 ± 0.0012 Å
• c: 15.9042 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6609.7 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No