Information card for entry 1554200

Structure parameters

• Chemical name: Gold-complex
• Formula: C28 H20 Au2 F10 N2 O2
• Calculated formula: C28 H20 Au2 F10 N2 O2
• Title of publication: A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism
• Authors of publication: Seki, Tomohiro; Ida, Kentaro; Ito, Hajime
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1195
• a: 8.4401 ± 0.0007 Å
• b: 17.347 ± 0.0013 Å
• c: 19.5954 ± 0.0015 Å
• α: 90°
• β: 98.181 ± 0.002°
• γ: 90°
• Cell volume: 2839.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No