Information card for entry 4077149

Structure parameters

• Formula: C8 H24 B14 Ru
• Calculated formula: C8 H24 B14 Ru
• SMILES: [Ru]123456789%10([C]%11%12([CH]%13%142[BH]2%155[CH]51[BH]1%164[BH]43%11[BH]3%12%13[BH]%11%14%15[BH]251[BH]%1643%11)C)[C]12([CH]347[BH]57%10[CH]%106[BH]6%119[BH]981[BH]123[BH]247[BH]5%106[BH]%11912)C
• Title of publication: Synthetic, Structural, Chemical, and Electrochemical Studies of the Metallatricarbadecaboranyl Analogues of Ferrocene, Ruthenocene, and Osmocene and the Observation of a Reversibleη6−η4Tricarbadecaboranyl Coordination that Is Analogous to theη5−η3Cyclopentadienyl Ring-Slippage Process
• Authors of publication: Ramachandran, Bhaskar M.; Trupia, Sabrina M.; Geiger, William E.; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5078
• a: 6.6631 ± 0.0005 Å
• b: 7.7448 ± 0.0007 Å
• c: 17.686 ± 0.002 Å
• α: 78.034 ± 0.009°
• β: 80.883 ± 0.009°
• γ: 71.114 ± 0.008°
• Cell volume: 840.65 ± 0.14 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0488
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No