Information card for entry 7120830

Structure parameters

• Formula: C8 H7 Cu O2 S
• Calculated formula: C8 H7 Cu O2 S
• Title of publication: Intrinsic Triple-Emitting 2D Copper Thiolate Coordination Polymer as a Ratiometric Thermometer Working over 400 K Range
• Authors of publication: Veselska, Oleksandra; Podbevsek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 3.9655 ± 0.0005 Å
• b: 19.103 ± 0.003 Å
• c: 5.2888 ± 0.0009 Å
• α: 90°
• β: 93.343 ± 0.014°
• γ: 90°
• Cell volume: 399.96 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections: 0.2356
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No