Information card for entry 7205882

Structure parameters

• Common name: (Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)
• Formula: C24 H54 Cl8 Fe4 N4 O53 P4
• Calculated formula: C24 H52 Cl8 Fe4 N4 O53 P4
• Title of publication: 2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates
• Authors of publication: Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3551
• a: 11.051 ± 0.003 Å
• b: 14.563 ± 0.004 Å
• c: 20.651 ± 0.006 Å
• α: 90°
• β: 92.526 ± 0.006°
• γ: 90°
• Cell volume: 3320.3 ± 1.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No