Information card for entry 1554199

Structure parameters

• Chemical name: 1c
• Formula: C24 H12 Au2 F10 N2 O
• Calculated formula: C24 H12 Au2 F10 N2 O
• SMILES: [Au](C#[N]c1cccc([N]#C[Au]c2c(F)c(F)c(F)c(F)c2F)c1)c1c(F)c(F)c(F)c(F)c1F.O1CCCC1
• 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: 10.528 ± 0.0009 Å
• b: 11.5191 ± 0.0011 Å
• c: 11.8538 ± 0.0011 Å
• α: 70.006 ± 0.002°
• β: 70.754 ± 0.002°
• γ: 67.223 ± 0.003°
• Cell volume: 1212.85 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1062
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No