Information card for entry 7027968

Structure parameters

• Formula: C14 H37 B9 N Rh
• Calculated formula: C14 H37 B9 N Rh
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]16782345[BH]234[BH]591[BH]1%102[BH]2%113[BH]3%10([BH]%1091[BH]65([H]7)[H]%10)[H][BH]23[N+](CC)(CC)[BH]84%11)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: 8.1876 ± 0.0005 Å
• b: 14.3398 ± 0.0009 Å
• c: 17.9158 ± 0.0011 Å
• α: 90°
• β: 93.248 ± 0.002°
• γ: 90°
• Cell volume: 2100.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.0658
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No