Information card for entry 7204652

Structure parameters

• Common name: H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(iii)-0.25hydrate
• Chemical name: H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(III)-0.25hydrate
• Formula: C4 H13 Fe3 N2 O17.25 P4
• Calculated formula: C4 H13 Fe3 N2 O17.25 P4
• Title of publication: Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis
• Authors of publication: Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 33
• Pages of publication: 180 - 189
• a: 6.3554 ± 0.0016 Å
• b: 9.166 ± 0.002 Å
• c: 15.311 ± 0.004 Å
• α: 90.27 ± 0.004°
• β: 91.338 ± 0.004°
• γ: 106.594 ± 0.004°
• Cell volume: 854.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No