Information card for entry 2016202

Structure parameters

• Chemical name: Triaqua(18-crown-6)samarium(III) hexacyanoferrate(III) dihydrate
• Formula: C18 H34 Fe N6 O11 Sm
• Calculated formula: C18 H34 Fe N6 O11 Sm
• Title of publication: Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids
• Authors of publication: Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m440 - m444
• a: 10.9324 ± 0.0002 Å
• b: 11.0996 ± 0.0002 Å
• c: 14.0119 ± 0.0004 Å
• α: 67.9012 ± 0.0013°
• β: 70.7291 ± 0.0013°
• γ: 65.7231 ± 0.0014°
• Cell volume: 1404.76 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes