Information card for entry 7024006

Structure parameters

• Common name: cyclophosphazene
• Formula: C6 H7 Cl3 F6 N3 O3 P3
• Calculated formula: C6 H7 Cl3 F6 N3 O3 P3
• SMILES: P1(=N[P@]2(=N[P@@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)CO2)Cl)Cl)(OC)Cl
• Title of publication: Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.
• Authors of publication: Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16709 - 16722
• a: 7.7646 ± 0.0001 Å
• b: 12.8687 ± 0.0002 Å
• c: 8.5469 ± 0.0001 Å
• α: 90°
• β: 116.241 ± 0.001°
• γ: 90°
• Cell volume: 765.997 ± 0.019 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No