Information card for entry 4074115

Structure parameters

• Formula: C53 H55 Au2 B9 O5 P2 Re Rh
• Calculated formula: C53 H55 Au2 B9 O5 P2 Re Rh
• SMILES: [Rh]1234567(C#[O])(C#[O])[C]89([BH]%10%112[BH]2%125[B]5%13%14%151[B]1%16%174([BH]438[BH]39%10[BH]8%164[BH]251[BH]%11%1238)[H][Re]16%13%17(C#[O])(C#[O])(C#[O])[Au]7%14([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au]%151[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.CCCCC
• Title of publication: Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters
• Authors of publication: McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4452
• a: 18.6109 ± 0.0015 Å
• b: 17.0445 ± 0.0015 Å
• c: 19.674 ± 0.002 Å
• α: 90°
• β: 115.685 ± 0.003°
• γ: 90°
• Cell volume: 5624.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.1279
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No