Information card for entry 7707090

Structure parameters

• Formula: C4 H8 Cl4 N4 O4 P4
• Calculated formula: C4 H8 Cl4 N4 O4 P4
• Title of publication: Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.
• Authors of publication: Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6673 - 6681
• a: 5.9782 ± 0.0014 Å
• b: 8.5423 ± 0.0019 Å
• c: 8.728 ± 0.002 Å
• α: 69.92 ± 0.02°
• β: 70.932 ± 0.014°
• γ: 72.958 ± 0.015°
• Cell volume: 387.35 ± 0.16 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.1416
• Weighted residual factors for significantly intense reflections: 0.3547
• Weighted residual factors for all reflections included in the refinement: 0.3687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No