Information card for entry 4339271

Structure parameters

• Formula: C55 H43 B8 Cu O12 P2 Ru5
• Calculated formula: C55 H43 B8 Cu O12 P2 Ru5
• SMILES: [BH]1234[BH]567[B]89%10%112[BH]2%121[B]1%13%14%15%16[B]%17%18%19%20%21[H][Ru]%22%21([Ru]%21%236%19([BH]59%17[B]5%102%13%18[H][Cu]%115([H]8)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)([Ru]2%14%20%22([Ru]3%12%15%21([Ru]%162([H]1)(C#[O])(C#[O])C#[O])([C]47%23c1ccccc1)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Penta- and hexaruthenium carbonyl 'raft' complexes supported by monocarborane cage ligands.
• Authors of publication: Du, Shaowu; Hodson, Bruce E.; Lei, Peng; McGrath, Thomas D.; Stone, F Gordon A
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6613 - 6620
• a: 12.0923 ± 0.0009 Å
• b: 15.7652 ± 0.0013 Å
• c: 17.6006 ± 0.0014 Å
• α: 75.902 ± 0.004°
• β: 71.283 ± 0.004°
• γ: 73.289 ± 0.004°
• Cell volume: 3001 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No