Information card for entry 4350411

Structure parameters

• Formula: C5 H30 Fe3 N3 O21 P6
• Calculated formula: C5 H6 Fe3 N3.02 O21 P6
• Title of publication: Structural, thermal, spectroscopic, specific-heat, and magnetic studies of (C5H18N3)[Fe3(HPO3)6].3H2O: a new organically templated iron(III) phosphite with a pillared structure formed by the interpenetration of two subnets.
• Authors of publication: Chung, U-Chan; Mesa, José L; Pizarro, José L; Fernandez, Jesús Rodríguez; Marcos, Jorge Sanchez; Garitaonandia, José S; Arriortua, María I; Rojo, Teófilo
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8965 - 8972
• a: 8.803 ± 0.001 Å
• b: 8.803 ± 0.001 Å
• c: 25.292 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1697.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No