Information card for entry 7109802

Structure parameters

• Formula: C33 H59 B9 N3 O0.25 Ta
• Calculated formula: C33 H59 B9 N3 O0.25 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: 22.28 ± 0.002 Å
• b: 20.1642 ± 0.0018 Å
• c: 20.6296 ± 0.0019 Å
• α: 90°
• β: 111.047 ± 0.002°
• γ: 90°
• Cell volume: 8649.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No