Information card for entry 1516507

Structure parameters

• Common name: lanthanum(III) hexacyanidocobaltate(III) pentahydrate
• Chemical name: lanthanum(III) hexacyanidocobaltate(III) pentahydrate
• Formula: C6 H10 Co La N6 O5
• Calculated formula: C6 H10.0002 Co La N6 O5
• 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: 7.4597 ± 0.0011 Å
• b: 7.4597 ± 0.0011 Å
• c: 14.293 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 688.8 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for all reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9954
• Diffraction radiation wavelength: 0.85 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No