Information card for entry 4341036

Structure parameters

• Formula: C74 H53 Au2 Co6 O12 P3
• Calculated formula: C74 H53 Au2 Co6 O12 P3
• SMILES: [Au]12([Au]3([Co]456789([Co]%10%11%12%13%14([Co]%15%16%174([Co]4%18%19%10([Co]%1015%15([Co]236%114([C]7%12%16%18%10)(C%14=O)(C#[O])C%19=O)(C#[O])(C#[O])C%17=O)(C#[O])C%13=O)(C9=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C8=O)C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 11.0288 ± 0.0007 Å
• b: 21.2558 ± 0.0013 Å
• c: 30.3199 ± 0.0019 Å
• α: 90°
• β: 99.919 ± 0.001°
• γ: 90°
• Cell volume: 7001.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.1463
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No