Information card for entry 4300803

Structure parameters

• Formula: C17 H35 B8 N Ru
• Calculated formula: C17 H35 B8 N Ru
• SMILES: [Ru]12345678([CH]9%10%11[BH]%12%131[CH]1%142[BH]2%153[BH]349[BH]49%10[BH]%10%11%12[BH]%11%131[BH]1%142[BH]%1534[C]9%10%111NC(C)(C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Synthesis and Rearrangements of Aminosubstituted Ferra- and Ruthenatricarbaboranes
• Authors of publication: Josef Holub; Bohumír Grüner; Dmitry S. Perekalin; Denis G. Golovanov; Konstantin A. Lyssenko; Pavel V. Petrovskii; Alexander R. Kudinov; Bohumil Štíbr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1655 - 1659
• a: 11.886 ± 0.003 Å
• b: 11.096 ± 0.003 Å
• c: 16.474 ± 0.004 Å
• α: 90°
• β: 90.044 ± 0.005°
• γ: 90°
• Cell volume: 2172.7 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No