Information card for entry 7049372

Structure parameters

• Formula: C39 H38 Cu N10 O6
• Calculated formula: C39 H38 Cu N10 O6
• Title of publication: [9]aneN₃-based fluorescent receptors for metal ion sensing, featuring urea and amide functional groups.
• Authors of publication: Garau, Alessandra; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Conti, Luca; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Mariani, Palma; Scorciapino, Mariano Andrea
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4949 - 4960
• a: 16.8909 ± 0.0003 Å
• b: 10.8298 ± 0.0003 Å
• c: 39.2281 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7175.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No