Information card for entry 1565441

Structure parameters

• Formula: C24 H32 Cu N4 O9 S2
• Calculated formula: C24 H32 Cu N4 O9 S2
• Title of publication: Fluorescent ligand design for mononuclear copper(I) complex fluorescence in aqueous solution
• Authors of publication: Saga, Makoto; Sakane, Genta; Yamazaki, Shigeo; Saito, Keiitsu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119368
• a: 12.2756 ± 0.0019 Å
• b: 14.275 ± 0.002 Å
• c: 16.108 ± 0.003 Å
• α: 90°
• β: 105.381 ± 0.0016°
• γ: 90°
• Cell volume: 2721.6 ± 0.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No