Information card for entry 7049370

Structure parameters

• Formula: C33 H46 Cl2 Cu N9 O3.5
• Calculated formula: C33 H45 Cl2 Cu N9 O3.5
• 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: 10.2504 ± 0.0004 Å
• b: 12.247 ± 0.0005 Å
• c: 15.0718 ± 0.0006 Å
• α: 73.311 ± 0.004°
• β: 76.05 ± 0.003°
• γ: 88.129 ± 0.003°
• Cell volume: 1757.55 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No