Information card for entry 7109117

Structure parameters

• Formula: C23 H25 Au F5 N O
• Calculated formula: C23 H25 Au F5 N O
• SMILES: [Au](C#[N]c1ccc(cc1)OCCCCCCCCCC)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Aggregation-induced emission (AIE) behavior and thermochromic luminescence properties of a new gold(I) complex
• Authors of publication: Jinhua Liang; Zhao Chen; Jun Yin; Guang-Ao Yu; Sheng Hua Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3567
• a: 24.7588 ± 0.0017 Å
• b: 7.438 ± 0.0005 Å
• c: 12.7956 ± 0.0009 Å
• α: 90°
• β: 98.237 ± 0.001°
• γ: 90°
• Cell volume: 2332.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No