Information card for entry 4077777

Structure parameters

• Formula: C27 H26 Au B10 O8 P Ru3
• Calculated formula: C27 H26 Au B10 O8 P Ru3
• SMILES: [Ru]123456([Ru]78([H][Ru]91(C#[O])(C#[O])(C#[O])[B]1%10%115([B]5%1247([BH]473[CH]3%132[BH]261[BH]16%11[BH]%11%10%12[BH]%1057[BH]543[BH]%1321[BH]6%11%105)[H]8)[Au]9[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• 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: 12.222 ± 0.004 Å
• b: 13.027 ± 0.003 Å
• c: 13.317 ± 0.003 Å
• α: 80.48 ± 0.02°
• β: 82.25 ± 0.02°
• γ: 62.98 ± 0.02°
• Cell volume: 1858.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.1076
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No