Information card for entry 7103885

Structure parameters

• Formula: C20 H21 F6 N5 O4.5 P
• Calculated formula: C20 H21 F6 N5 O4.5 P
• Title of publication: The design and synthesis of non-centric diamond-like networks based NH4+ ion
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 17.9935 ± 0.0013 Å
• b: 17.9935 ± 0.0013 Å
• c: 7.2554 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2349.1 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 6
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No