Information card for entry 7027967

Structure parameters

• Formula: C14 H37 B9 N Rh
• Calculated formula: C14 H37 B9 N Rh
• SMILES: [Rh]12345678([H][BH]9%108[BH]8%116[BH]6%12%13[BH]%1498[BH]896[BH]6%10%14[BH]%108([H][BH]%139%10[BH]7%11%12[H]1)[N+]6(CC)CC)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Polyhedral azaborane chemistry. Nitrogen-vertex incorporation in metallaazaborane formation from 4-(NHEt2)B9H13. Two isomers of [(η5-C5Me5)RhB9H12(NEt2)]
• Authors of publication: Dörfler, Udo; Clegg, William; Kennedy, John D.; Thornton-Pett, Mark
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 14
• Pages of publication: 2353
• a: 10.3219 ± 0.0006 Å
• b: 12.9165 ± 0.0007 Å
• c: 15.9291 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123.7 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for all reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0409
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No