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Information card for entry 1540700
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Coordinates | 1540700.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-Dy |
---|---|
Formula | C70 H83 Dy3 Se3 |
Calculated formula | C70 H83 Dy3 Se3 |
SMILES | [Dy]123456789([Se]([Dy]%10%11%12%13%14%15%16%17([Se]([Dy]%18%19%20%21%22%23%24%25([Se]1c1c(cc(cc1C)C)C)([c]1([cH]%18[cH]%19[cH]%20[cH]%211)C)[c]1([cH]%25[cH]%24[cH]%23[cH]%221)C)c1c(cc(cc1C)C)C)([c]1([cH]%10[cH]%11[cH]%12[cH]%131)C)[c]1([cH]%17[cH]%16[cH]%15[cH]%141)C)c1c(cc(cc1C)C)C)([c]1([cH]5[cH]4[cH]3[cH]21)C)[c]1([cH]6[cH]7[cH]8[cH]91)C.c1(ccccc1)C |
Title of publication | Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets |
Authors of publication | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 3 |
Pages of publication | 2128 |
a | 14.8845 ± 0.0013 Å |
b | 18.4953 ± 0.0014 Å |
c | 23.4214 ± 0.0018 Å |
α | 90° |
β | 103.098 ± 0.008° |
γ | 90° |
Cell volume | 6280 ± 0.9 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
177714 (current) | 2016-03-05 | cif/ Updating files of 1540697, 1540698, 1540699, 1540700, 1540701 Original log message: Adding full bibliography for 1540697--1540701.cif. |
1540700.cif |
171539 | 2015-12-16 | cif/ Adding structures of 1540697, 1540698, 1540699, 1540700, 1540701 via cif-deposit CGI script. |
1540700.cif |
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Users of the data should acknowledge the original authors of the
structural data.