Information card for entry 7109801

Structure parameters

• Formula: C30.5 H51 B9 N3 Ta
• Calculated formula: C30.5 H50.5 B9 N3 Ta
• Title of publication: Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds
• Authors of publication: Li Xiang; Kazushi Mashima; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9039
• a: 8.8958 ± 0.0007 Å
• b: 10.8119 ± 0.0009 Å
• c: 18.1883 ± 0.0014 Å
• α: 92.057 ± 0.002°
• β: 100.241 ± 0.001°
• γ: 90.513 ± 0.001°
• Cell volume: 1720.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No