Information card for entry 7024009

Structure parameters

• Common name: cyclophosphazene
• Formula: C7 H10 Cl2 F6 N3 O4 P3
• Calculated formula: C7 H10 Cl2 F6 N3 O4 P3
• SMILES: [P@]1(=N[P@@]2(=N[P@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)CO2)OC)Cl)(OC)Cl.[P@@]1(=N[P@]2(=N[P@@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)CO2)OC)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: 6.5257 ± 0.0008 Å
• b: 8.4635 ± 0.001 Å
• c: 15.8 ± 0.0019 Å
• α: 76.146 ± 0.006°
• β: 78.797 ± 0.005°
• γ: 89.58 ± 0.005°
• Cell volume: 830.4 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No