Information card for entry 4104350

Structure parameters

• Common name: (IPr)Au[eta2-H2C=C(CH3)2]+ SbF6-
• Formula: C33 H48 Au Cl4 F6 N2 Sb
• Calculated formula: C33 H48 Au Cl4 F6 N2 Sb
• SMILES: [Au]1([CH2]=[C]1(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)([F-])(F)(F)F.ClCCl.ClCCl
• 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: 16.8505 ± 0.0013 Å
• b: 11.6076 ± 0.0009 Å
• c: 21.6262 ± 0.0016 Å
• α: 90°
• β: 106.172 ± 0.004°
• γ: 90°
• Cell volume: 4062.6 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No