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Information card for entry 4315277
Preview
Coordinates | 4315277.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H48 Co N4 O4 |
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Calculated formula | C40 H48 Co N4 O4 |
SMILES | [Co]12([n]3ccc(cc3)C#N)([n]3ccc(cc3)C#N)(Oc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)Oc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2 |
Title of publication | Magnetic Bistability in a Cobalt Bis(dioxolene) Complex: Long-Lived Photoinduced Valence Tautomerism |
Authors of publication | Robert D. Schmidt; David A. Shultz; James D. Martin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 3162 - 3168 |
a | 11.7031 ± 0.0005 Å |
b | 22.8781 ± 0.0009 Å |
c | 7.211 ± 0.0003 Å |
α | 90° |
β | 90.209 ± 0.003° |
γ | 90° |
Cell volume | 1930.69 ± 0.14 Å3 |
Cell temperature | 143 K |
Ambient diffraction temperature | 143 K |
Number of distinct elements | 5 |
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 | 0.1004 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1775 |
Weighted residual factors for all reflections included in the refinement | 0.1973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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