Information card for entry 1543716

Structure parameters

• Chemical name: (4-Butoxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride
• Formula: C17 H17 Au Cl N O
• Calculated formula: C17 H17 Au Cl N O
• SMILES: [Au](C#[N]c1ccc(cc1)c1ccc(cc1)OCCCC)Cl
• Title of publication: Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.
• Authors of publication: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu
• Journal of publication: Faraday discussions
• Year of publication: 2017
• Journal volume: 196
• Pages of publication: 269 - 283
• a: 10.2724 ± 0.0005 Å
• b: 13.7308 ± 0.0007 Å
• c: 14.1704 ± 0.0007 Å
• α: 61.476 ± 0.001°
• β: 71 ± 0.002°
• γ: 69.885 ± 0.002°
• Cell volume: 1617.15 ± 0.14 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 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: 0.0461
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1207
• 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