Information card for entry 4320346

Structure parameters

• Formula: C6 H20 As3 F5 Fe3 N3 O12
• Calculated formula: C6 H20 As3 F5 Fe3 N3 O12
• Title of publication: Synthesis and Characterization of Fluorinated Metal Arsenates with a Layer Structure: (C4H12N2)1.5[M3F5(HAsO4)2(AsO4)] (M = Fe, Ga)
• Authors of publication: Shi-Hao Luo; Yau-Chen Jiang; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5381 - 5384
• a: 8.3944 ± 0.001 Å
• b: 21.992 ± 0.003 Å
• c: 10.8466 ± 0.0012 Å
• α: 90°
• β: 96.188 ± 0.002°
• γ: 90°
• Cell volume: 1990.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No