Information card for entry 4060482

Structure parameters

• Formula: C35 H53 Cl2 N2 Ti
• Calculated formula: C35 H53 Cl2 N2 Ti
• SMILES: [Ti]1(Cl)(Cl)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
• Authors of publication: Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 16.5273 ± 0.0017 Å
• b: 18.0577 ± 0.0019 Å
• c: 11.995 ± 0.0012 Å
• α: 90°
• β: 103.587 ± 0.002°
• γ: 90°
• Cell volume: 3479.7 ± 0.6 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• 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