Information card for entry 7119133

Structure parameters

• Formula: C40 H32 Au2 Cl4 P2
• Calculated formula: C40 H32 Au2 Cl4 P2
• SMILES: [Au](Cl)[P](C(=C=C([P]([Au]Cl)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Bis-phosphine allene ligand: coordination chemistry and preliminary applications in catalysis
• Authors of publication: Avassaya Vanitcha; Cecilia Damelincourt; Geoffrey Gontard; Nicolas Vanthuyne; Virginie Mouries-Mansuy; Louis Fensterbank
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6785
• a: 12.6409 ± 0.0003 Å
• b: 16.973 ± 0.0004 Å
• c: 18.0808 ± 0.0005 Å
• α: 90°
• β: 104.661 ± 0.001°
• γ: 90°
• Cell volume: 3753 ± 0.16 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No