Information card for entry 1554663

Structure parameters

• Formula: C18 H15 Au F5 N O
• Calculated formula: C18 H15 Au F5 N O
• SMILES: [Au](C#[N]c1ccc(cc1)OCCCCC)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy
• Authors of publication: Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1866
• a: 7.2889 ± 0.0004 Å
• b: 19.8254 ± 0.001 Å
• c: 11.9641 ± 0.0006 Å
• α: 90°
• β: 95.306 ± 0.001°
• γ: 90°
• Cell volume: 1721.47 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No