Information card for entry 4100852

Structure parameters

• Formula: C26 H42 Ti
• Calculated formula: C26 H42 Ti
• SMILES: [Ti]123456789([c]%10([c]4([c]3([c]2([c]1%10C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)CC(C9)C(C)C
• Title of publication: Structural and Spectroscopic Demonstration of Agostic C–C Interactions in Electron-Deficient Metallacyclobutanes and Related Cage Complexes: Possible Implications for Olefin Polymerizations and Metatheses
• Authors of publication: Harvey, Benjamin G.; Mayne, Charles L.; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 47
• Pages of publication: 16426 - 16435
• a: 9.3925 ± 0.0003 Å
• b: 14.7287 ± 0.0003 Å
• c: 16.6544 ± 0.0004 Å
• α: 90°
• β: 96.6871 ± 0.0013°
• γ: 90°
• Cell volume: 2288.28 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No