Information card for entry 7233262

Structure parameters

• Chemical name: Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated
• Formula: C32 H60 Er N14 O9 W
• Calculated formula: C32 H60 Er N14 O9 W
• Title of publication: Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties
• Authors of publication: Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 5882
• a: 9.8904 ± 0.0002 Å
• b: 22.5488 ± 0.0005 Å
• c: 20.4885 ± 0.0004 Å
• α: 90°
• β: 95.634 ± 0.007°
• γ: 90°
• Cell volume: 4547.2 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 89.95 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No