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Information card for entry 1540698
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Coordinates | 1540698.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-Dy |
---|---|
Formula | C70 H83 As3 Dy3 |
Calculated formula | C70 H83 As3 Dy3 |
SMILES | [Dy]123456789([As]([Dy]%10%11%12%13%14%15%16%17([As]([Dy]%18%19%20%21%22%23%24%25([As]1c1c(cc(cc1C)C)C)([cH]1[cH]%18[cH]%19[cH]%20[c]%211C)[cH]1[c]%25([cH]%24[cH]%23[cH]%221)C)c1c(cc(cc1C)C)C)([cH]1[c]%13([cH]%12[cH]%11[cH]%101)C)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171C)c1c(cc(cc1C)C)C)([cH]1[cH]2[cH]3[cH]4[c]51C)[cH]1[cH]6[cH]7[cH]8[c]91C.c1ccccc1C |
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 | 14.9242 ± 0.0003 Å |
b | 18.6105 ± 0.0004 Å |
c | 23.7155 ± 0.0005 Å |
α | 90° |
β | 103.461 ± 0.002° |
γ | 90° |
Cell volume | 6406 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.043 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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. |
1540698.cif |
171539 | 2015-12-16 | cif/ Adding structures of 1540697, 1540698, 1540699, 1540700, 1540701 via cif-deposit CGI script. |
1540698.cif |
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Users of the data should acknowledge the original authors of the
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