Information card for entry 7056999

Structure parameters

• Formula: C32 H45 F12 N6 P3 S3
• Calculated formula: C32 H45 F12 N6 P3 S3
• Title of publication: Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis
• Authors of publication: Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 4854
• a: 11.177 ± 0.002 Å
• b: 13.8549 ± 0.0018 Å
• c: 14.3529 ± 0.0016 Å
• α: 78.106 ± 0.009°
• β: 79.722 ± 0.019°
• γ: 75.226 ± 0.015°
• Cell volume: 2084.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No