Information card for entry 7060127

Structure parameters

• Formula: C23 H27 Cd N5 O8 S2
• Calculated formula: C23 H27 Cd N5 O8 S2
• Title of publication: N2S2 pyridinophane-based fluorescent chemosensors for selective optical detection of Cd2+ in soils
• Authors of publication: Garau, Alessandra; Lvova, Larisa; Macedi, Eleonora; Ambrosi, Gianluca; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Coles, Simon J.; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Isaia, Francesco; Lippolis, Vito; Orton, James B.; Paolesse, Roberto
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20834 - 20852
• a: 8.1633 ± 0.00018 Å
• b: 8.7604 ± 0.0003 Å
• c: 19.2048 ± 0.0005 Å
• α: 96.042 ± 0.002°
• β: 93.524 ± 0.0019°
• γ: 109.789 ± 0.002°
• Cell volume: 1278.19 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0229
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No