Information card for entry 7024008

Structure parameters

• Common name: fosfazen
• Formula: C7 H10 Cl2 F6 N3 O4 P3
• Calculated formula: C7 H10 Cl2 F6 N3 O4 P3
• SMILES: P1(=N[P@@]2(=N[P@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)CO2)Cl)Cl)(OC)OC
• 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: 7.8562 ± 0.0011 Å
• b: 12.7286 ± 0.0018 Å
• c: 8.6574 ± 0.0012 Å
• α: 90°
• β: 111.409 ± 0.006°
• γ: 90°
• Cell volume: 806 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0209
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No