Information card for entry 4104348

Structure parameters

• Common name: (IPr)Au[eta2-C7H10]+ SbF6-
• Formula: C34 H46 Au F6 N2 Sb
• Calculated formula: C34 H46 Au F6 N2 Sb
• SMILES: [Au]1([CH]2=[CH]1[C@@H]1C[C@H]2CC1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Syntheses, X-ray Crystal Structures, and Solution Behavior of Monomeric, Cationic, Two-Coordinate Gold(I) π-Alkene Complexes
• Authors of publication: Timothy J. Brown; Marina G. Dickens; Ross A. Widenhoefer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6350 - 6351
• a: 9.0245 ± 0.0012 Å
• b: 13.2478 ± 0.0018 Å
• c: 14.682 ± 0.0019 Å
• α: 94.179 ± 0.007°
• β: 99.608 ± 0.007°
• γ: 93.006 ± 0.006°
• Cell volume: 1722.4 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No