Information card for entry 4000451

Structure parameters

• Formula: C14 H17 F6 N4 P
• Calculated formula: C14 H17 F6 N4 P
• SMILES: [F-][P](F)(F)(F)(F)F.C[n+]1ccc(cc1)/N=N/c1ccc(cc1)N(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 11.4181 ± 0.0013 Å
• b: 7.5574 ± 0.0008 Å
• c: 19.0355 ± 0.0017 Å
• α: 90.012 ± 0.008°
• β: 97.886 ± 0.008°
• γ: 89.994 ± 0.009°
• Cell volume: 1627.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 239 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No