Information card for entry 4077775

Structure parameters

• Formula: C10 H14 B10 Cl2 O8 Ru3
• Calculated formula: C10 H14 B10 Cl2 O8 Ru3
• SMILES: [Ru]123456([Ru]78([H][Ru]91(C#[O])(C#[O])(C#[O])[B]1%10%115([B]5%1248([BH]483[CH]3%132[BH]261[BH]16%11[BH]%11%10%12[BH]%1058[BH]543[BH]%1321[BH]6%11%105)[H]7)[H]9)(C#[O])(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Synthesis and Reactions of the Triruthenamonocarboncarborane Cluster Complex [NHMe3][Ru3(CO)8(η5-7-CB10H11)]†
• Authors of publication: Ellis, Dianne D.; Franken, Andreas; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2362
• a: 10.701 ± 0.003 Å
• b: 18.295 ± 0.004 Å
• c: 12.974 ± 0.003 Å
• α: 90°
• β: 102.62 ± 0.02°
• γ: 90°
• Cell volume: 2478.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.0695
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No