Information card for entry 4077084

Structure parameters

• Formula: C30 H49 B4 Rh3
• Calculated formula: C30 H49 B4 Rh3
• SMILES: [Rh]12345678([Rh]9%10%11%12%13%14%15([Rh]%16%17%18%19%201([BH]13[BH]29[BH]%10%161)([BH]4%11)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Metallaborane Reaction Chemistry.nido-Dirhodapentaborane Isomer Structures and Stabilities and Utilization of Dirhodaboranes as Catalysts for Alkyne Cyclotrimerization
• Authors of publication: Yan, Hong; Beatty, Alicia M.; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5029
• a: 10.9363 ± 0.0014 Å
• b: 16.767 ± 0.002 Å
• c: 17.995 ± 0.002 Å
• α: 85.271 ± 0.002°
• β: 89.7 ± 0.002°
• γ: 71.045 ± 0.002°
• Cell volume: 3109.4 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No