Information card for entry 1563378

Structure parameters

• Formula: F2 Fe3 H21 N4 O18 P4
• Calculated formula: F2 Fe3 N4 O18 P4
• Title of publication: Synthesis and crystal structure of a new open-framework iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4]: Novel linear trimer of corner-sharing Fe(III) octahedra
• Authors of publication: Mi, Jin-Xiao; Wang, Cheng-Xin; Chen, Ning; Li, Rong; Pan, Yuanming
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 12
• Pages of publication: 2763 - 2769
• a: 6.2614 ± 0.0013 Å
• b: 9.844 ± 0.002 Å
• c: 14.271 ± 0.003 Å
• α: 90°
• β: 92.109 ± 0.004°
• γ: 90°
• Cell volume: 879 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No