Information card for entry 4065261

Structure parameters

• Formula: C88 H66 Au4 O2 P4
• Calculated formula: C88 H66 Au4 O2 P4
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#CC(=O)C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Bis(metallaethynyl) Ketones: Synthesis and Structure of {(Ph3P)AuC\τb C}2CO and Attempted Transmetalation: Formation and Structure of [1,3-{Ru(dppe)Cp}2{c-COC(OMe)CHCCH}]PF6
• Authors of publication: Armitt, David J.; Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; Zaitseva, Natasha N.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5452
• a: 17.6684 ± 0.0006 Å
• b: 17.1866 ± 0.0006 Å
• c: 25.4564 ± 0.001 Å
• α: 90°
• β: 107.8 ± 0.004°
• γ: 90°
• Cell volume: 7360 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No