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Information card for entry 1519929
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Coordinates | 1519929.cif |
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Original paper (by DOI) | HTML |
Formula | C82 H94 Co N2 O4 |
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Calculated formula | C82 H94 Co N2 O4 |
Title of publication | Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism |
Authors of publication | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 4599 |
a | 16.5308 ± 0.0006 Å |
b | 11.7257 ± 0.0004 Å |
c | 18.9821 ± 0.0007 Å |
α | 90° |
β | 107.445 ± 0.002° |
γ | 90° |
Cell volume | 3510.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
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 | 0.0473 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
153080 (current) | 2015-08-08 | cif/ Updating files of 1519926, 1519927, 1519928, 1519929 Original log message: Adding full bibliography for 1519926--1519929.cif. |
1519929.cif |
137270 | 2015-05-23 | cif/ Adding structures of 1519926, 1519927, 1519928, 1519929 via cif-deposit CGI script. |
1519929.cif |
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Users of the data should acknowledge the original authors of the
structural data.