Information card for entry 4061397

Structure parameters

• Formula: C47 H70 N2 Ti
• Calculated formula: C47 H70 N2 Ti
• SMILES: [Ti]12(=C(C(C)(C)C)[H]2)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)Cc1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 13.0516 ± 0.0009 Å
• b: 22.653 ± 0.0017 Å
• c: 14.487 ± 0.0012 Å
• α: 90°
• β: 98.217 ± 0.002°
• γ: 90°
• Cell volume: 4239.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No