Information card for entry 1516516

Structure parameters

• Common name: lithium lutetium(III) hexacyanidoferrate(II) trihydrate
• Chemical name: lithium lutetium(III) hexacyanidoferrate(II) trihydrate
• Formula: C6 H6 Fe Li Lu N6 O3
• Calculated formula: C6 Fe Li Lu N6 O2.58
• Title of publication: Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)
• Authors of publication: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 3409
• a: 7.2309 ± 0.0007 Å
• b: 12.5358 ± 0.0012 Å
• c: 13.2519 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No