Information card for entry 2014539

Structure parameters

• Chemical name: Diaquahexa-μ-cyano-ferrate(III)praseodymium(III) dihydrate
• Formula: C6 H8 Fe N6 O4 Pr
• Calculated formula: C6 H8 Fe N6 O4 Pr
• Title of publication: Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate
• Authors of publication: Langer, Vratislav; Smrčok, Ľubomír; Masuda, Yoshio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: i104 - i106
• a: 7.492 ± 0.0001 Å
• b: 12.9293 ± 0.0001 Å
• c: 13.7904 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.83 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes