Information card for entry 1543715

Structure parameters

• Chemical name: (4-Isocyano-4'-propoxy-1,1'-biphenyl)gold(I) chloride
• Formula: C16 H15 Au Cl N O
• Calculated formula: C16 H15 Au Cl N O
• SMILES: [Au](C#[N]c1ccc(cc1)c1ccc(cc1)OCCC)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: 10.0233 ± 0.0006 Å
• b: 7.3836 ± 0.0005 Å
• c: 20.4729 ± 0.0013 Å
• α: 90°
• β: 93.2347 ± 0.0019°
• γ: 90°
• Cell volume: 1512.75 ± 0.17 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 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: 0.0434
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No