Information card for entry 4074117

Structure parameters

• Formula: C63 H58 Au3 B9 O2 P3 Rh
• Calculated formula: C63 H58 Au3 B9 O2 P3 Rh
• SMILES: [Au]123([Au]4([Au]51([B]16734[Rh]34892([C]2%10([BH]%11%123[BH]378[BH]786[BH]6519[BH]142[BH]2%10%11[BH]761[BH]%12382)c1ccccc1)(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 18.7506 ± 0.0015 Å
• b: 12.7722 ± 0.0015 Å
• c: 25.442 ± 0.002 Å
• α: 90°
• β: 94.055 ± 0.004°
• γ: 90°
• Cell volume: 6077.8 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No