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Information card for entry 7233263
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Coordinates | 7233263.cif |
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Original paper (by DOI) | HTML |
Chemical name | Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated |
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Formula | C28 H51.5 Er N13 O11 W |
Calculated formula | C28 H51.5 Er N13 O11 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 | 9.614 ± 0.0008 Å |
b | 18.1609 ± 0.0012 Å |
c | 25.5697 ± 0.0018 Å |
α | 90° |
β | 98.033 ± 0.007° |
γ | 90° |
Cell volume | 4420.6 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0924 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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