Information card for entry 4060471

Structure parameters

• Formula: C34 H55 B N2 Ti
• Calculated formula: C34 H55 B N2 Ti
• SMILES: [Ti]1234([N](=C(C=C(C1C(C)(C)C)C)C)c5c(cccc5C(C)C)C(C)C)(=Nc5c(cccc5C(C)C)C(C)C)[BH]([H]2)([H]3)[H]4
• 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: 9.002 ± 0.0003 Å
• b: 11.0365 ± 0.0004 Å
• c: 17.3981 ± 0.0006 Å
• α: 76.626 ± 0.001°
• β: 89.154 ± 0.001°
• γ: 78.389 ± 0.001°
• Cell volume: 1646.31 ± 0.1 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No