Information card for entry 4116300

Structure parameters

• Chemical name: 2,3-{Cp*Ru}2B4H8
• Formula: C20 H38 B4 Ru2
• Calculated formula: C20 H38 B4 Ru2
• SMILES: [Ru]12345678([H][Ru]9%10%11%12%13%14%15([BH]1%16([BH]14([H]3)[H][BH]1%10%16[H]%11)[BH]5%12)[c]1([c]%13([c]%14([c]%15([c]91C)C)C)C)C)[c]1([c]6([c]7([c]8([c]21C)C)C)C)C
• Title of publication: Chemistry of Dimetallaboranes Derived from the Reaction of [Cp*MCl2]2 with Monoboranes (M = Ru, Rh; Cp* = η5-C5Me5)
• Authors of publication: Xinjian Lei; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 1275 - 1287
• a: 8.7431 ± 0.0015 Å
• b: 8.901 ± 0.0015 Å
• c: 16.019 ± 0.003 Å
• α: 105.446 ± 0.012°
• β: 103.633 ± 0.014°
• γ: 90.769 ± 0.013°
• Cell volume: 1163.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.0836
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No