Information card for entry 7205884

Structure parameters

• Common name: (((2PyHCH2PO3H)Fe(H2O))ClO4)n
• Formula: C12 H20 Cl2 Fe N2 O16 P2
• Calculated formula: C12 H20 Cl2 Fe N2 O15.98 P2
• 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: 13.517 ± 0.0008 Å
• b: 8.2636 ± 0.0004 Å
• c: 10.391 ± 0.0004 Å
• α: 90°
• β: 97.108 ± 0.004°
• γ: 90°
• Cell volume: 1151.75 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No