Information card for entry 4060468

Structure parameters

• Formula: C34 H51 Br N2 Ti
• Calculated formula: C34 H51 Br N2 Ti
• SMILES: [Ti]1(=CC(C)(C)C)(Br)[N](=C(C=C(N1c1c(cccc1C(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: 10.2863 ± 0.0004 Å
• b: 27.5797 ± 0.0011 Å
• c: 12.3294 ± 0.0005 Å
• α: 90°
• β: 106.632 ± 0.001°
• γ: 90°
• Cell volume: 3351.4 ± 0.2 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 5
• 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