Information card for entry 7039458

Structure parameters

• Common name: Tolylpyridine methyl acetonitrile gold(III)
• Chemical name: '[2-(4-tolyl)pyridine-κ^2^N,C^7^](acetonitrile-κN)methylgold(III) tetrafluoroborate'
• Formula: C15 H16 Au B F4 N2
• Calculated formula: C15 H16 Au B F4 N2
• Title of publication: Small-molecule activation at Au(iii): metallacycle construction from ethylene, water, and acetonitrile.
• Authors of publication: Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14719 - 14724
• a: 10.2527 ± 0.0005 Å
• b: 6.6903 ± 0.0003 Å
• c: 12.3307 ± 0.0006 Å
• α: 90°
• β: 109.737 ± 0.002°
• γ: 90°
• Cell volume: 796.12 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No