Information card for entry 4341034

Structure parameters

• Formula: C89 H68 Au4 Co6 O13 P4
• Calculated formula: C89 H68 Au4 Co6 O13 P4
• SMILES: [Co]12345678([Co]9%10%11%12%13%14([Co]%15%16%17%181([Co]1%19%20%212([Co]2%2239([Co]%10%151([Au]%19([Au]%202[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([C]6%12%17%21%22)(C#[O])(C#[O])C%14=O)(C8=O)(C%13=O)C#[O])(C#[O])(C7=O)C%18=O)([Au]4([Au]5%11%16[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O])C#[O].O1CCCC1
• 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: 14.229 ± 0.003 Å
• b: 14.397 ± 0.003 Å
• c: 42.721 ± 0.008 Å
• α: 90°
• β: 90.652 ± 0.002°
• γ: 90°
• Cell volume: 8751 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2401
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.3134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No