Information card for entry 7012817

Structure parameters

• Common name: Bis(mu6,7-hydrogenphosphato)-tetrakis(mu7-phosphato)-di- iron(iii)-penta-iron(ii)
• Chemical name: Bis(mu6,7-hydrogenphosphato)-tetrakis(mu7-phosphato)- di-iron(III)-penta-iron(II)
• Formula: Fe3.5 H O12 P3
• Calculated formula: Fe3.5 H O12 P3
• Title of publication: Mixed-valence phosphato?hydrogenphosphato?iron network compounds 1?{[C4N2H11.6]1.5[FeIIFeIII(PO4)(H0.8PO4)2]�H2O} and 3?[FeII5FeIII2(PO4)2(H0.5PO4)4]: structure elucidation with the help of M�ssbauer spectroscopy and a caveat on X-ray diffraction
• Authors of publication: Abu-Shandi, Khalid; Winkler, Heiner; Gerdan, Michael; Emmerling, Franziska; Wu, Biao; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2815
• a: 6.562 ± 0.003 Å
• b: 7.98 ± 0.004 Å
• c: 9.536 ± 0.004 Å
• α: 103.874 ± 0.006°
• β: 109.286 ± 0.006°
• γ: 101.577 ± 0.006°
• Cell volume: 435.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No