Information card for entry 4077155

Structure parameters

• Formula: C19 H36 B7 N Ru
• Calculated formula: C19 H36 B7 N Ru
• SMILES: [Ru]1234567([BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%13[BH]%13%17%12[BH]19%11[C]3%13([CH]%16%17[BH]%148[CH]2%10%15)C)(C#[N]C(C)(C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)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: 9.9335 ± 0.0004 Å
• b: 13.4379 ± 0.0004 Å
• c: 9.6881 ± 0.0004 Å
• α: 104.997 ± 0.003°
• β: 110.448 ± 0.002°
• γ: 76.334 ± 0.003°
• Cell volume: 1155.16 ± 0.08 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1583
• Weighted residual factors for significantly intense reflections: 0.1562
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No