Information card for entry 4106167

Structure parameters

• Formula: C H6 F Fe N O4 P
• Calculated formula: C F Fe N0.65 O4 P
• Title of publication: Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates
• Authors of publication: Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8252 - 8263
• a: 12.953 ± 0.0005 Å
• b: 10.6466 ± 0.0003 Å
• c: 6.4469 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 889.06 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No