Information card for entry 7710198

Structure parameters

• Formula: C18 H26.5 Cl2 N5 O8.5 Zn
• Calculated formula: C18 H26 Cl2 N5 O8.25 Zn
• Title of publication: Glyphosate sensing in aqueous solutions by fluorescent zinc(II) complexes of [9]aneN3-based receptors
• Authors of publication: Garau, Alessandra; Picci, Giacomo; Bencini, Andrea; Caltagirone, Claudia; Conti, Luca; Paoli, Paola; Lippolis, Vito; Romano, Giammarco Maria; Rossi, Patrizia; Scorciapino, Mariano A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.3975 ± 0.0018 Å
• b: 17.3975 ± 0.0018 Å
• c: 31.318 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9479.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.3117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No