Information card for entry 7024007

Structure parameters

• Common name: cyclophosphazene
• Formula: C6 H7 Cl3 F6 N3 O3 P3
• Calculated formula: C6 H7 Cl3 F6 N3 O3 P3
• SMILES: P12(Cl)=NP(Cl)(=NP(Cl)(=N1)OC)OCC(C(C(CO2)(F)F)(F)F)(F)F
• 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: 8.61 ± 0.0004 Å
• b: 14.0284 ± 0.0004 Å
• c: 13.393 ± 0.0007 Å
• α: 90°
• β: 94.079 ± 0.002°
• γ: 90°
• Cell volume: 1613.57 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No