Information card for entry 7043324

Structure parameters

• Common name: cyclophosphazene
• Formula: C24 H20 Cl2 N3 O2 P3
• Calculated formula: C24 H20 Cl2 N3 O2 P3
• SMILES: P1(=N[P@](=N[P@](=N1)(Oc1ccccc1)Cl)(Oc1ccccc1)Cl)(c1ccccc1)c1ccccc1
• Title of publication: Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures
• Authors of publication: Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.6214 ± 0.0002 Å
• b: 17.218 ± 0.0004 Å
• c: 9.433 ± 0.0002 Å
• α: 90°
• β: 92.38 ± 0.0017°
• γ: 90°
• Cell volume: 1236.78 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No