Information card for entry 4341033

Structure parameters

• Formula: C85 H60 Au4 Co6 O12 P4
• Calculated formula: C85 H60 Au4 Co6 O12 P4
• SMILES: [C]12345[Co]6789%10%11%12(C(=O)[Co]%13%144%12([Co]4%1218(C#[O])(C#[O])C(=O)[Co]18%15%163%114([Au]346([Au]71[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Au]9([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Co]12%10%13%154(C(=O)[Co]5%14%12%161(C#[O])C#[O])(C#[O])[Au]83[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(C#[O])C#[O])C#[O]
• Title of publication: Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.
• Authors of publication: Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9761 - 9770
• a: 22.678 ± 0.011 Å
• b: 22.678 ± 0.011 Å
• c: 27.587 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12287 ± 10 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No