Information card for entry 4000450

Structure parameters

• Formula: C20 H16 F6 N3 P
• Calculated formula: C20 H16 F6 N3 P
• SMILES: [F-][P](F)(F)(F)(F)F.C[n+]1cccc2c1cccc2/N=N/c1ccc2c1ccccc2
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 7.8976 ± 0.0011 Å
• b: 10.8659 ± 0.0016 Å
• c: 12.1852 ± 0.0017 Å
• α: 88.871 ± 0.017°
• β: 74.119 ± 0.016°
• γ: 68.934 ± 0.016°
• Cell volume: 934.9 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No