Information card for entry 4065537

Structure parameters

• Formula: C42 H84 Au2 Cl2 P2
• Calculated formula: C42 H84 Au2 Cl2 P2
• SMILES: [Au](Cl)[P]12CCCCCCCCCCCCCC[P]([Au]Cl)(CCCCCCCCCCCCCC1)CCCCCCCCCCCCCC2
• Title of publication: Syntheses and Structures of Digold Complexes of Macrobicyclic Dibridgehead Diphosphines That Can Turn Themselves Inside Out
• Authors of publication: Stollenz, Michael; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6510
• a: 12.108 ± 0.012 Å
• b: 12.206 ± 0.012 Å
• c: 16.993 ± 0.017 Å
• α: 77.344 ± 0.012°
• β: 80.62 ± 0.011°
• γ: 88.085 ± 0.012°
• Cell volume: 2418 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2303
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No