Information card for entry 2205089

Structure parameters

• Chemical name: Tetraaquatetra(dimethylacetamide-κO)neodymium(III) hexacyanoferrate(III) trihydrate
• Formula: C22 H50 Fe N10 Nd O11
• Calculated formula: C22 H50 Fe N10 Nd O11
• Title of publication: Tetraaquatetrakis(dimethylacetamide-κ<i>O</i>)neodymium(III) hexacyanoferrate(III) trihydrate
• Authors of publication: Overgaard, Jacob; Svendsen, Helle; Chevalier, Marie A.; Iversen, Bo B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m268 - m270
• a: 14.3741 ± 0.0004 Å
• b: 14.1573 ± 0.0004 Å
• c: 17.9269 ± 0.0005 Å
• α: 90°
• β: 91.328 ± 0.001°
• γ: 90°
• Cell volume: 3647.12 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No