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Information card for entry 1559432
Preview
Coordinates | 1559432.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H15 N3 Ni O3 |
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Calculated formula | C20 H15 N3 Ni O3 |
SMILES | [Ni]12(N(=O)=O)Oc3c(C=[N]1c1c4n2cccc4ccc1)ccc1ccccc31 |
Title of publication | Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials |
Authors of publication | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik |
Journal of publication | IUCrJ |
Year of publication | 2020 |
Journal volume | 7 |
Journal issue | 6 |
a | 14.8976 ± 0.0003 Å |
b | 14.8976 ± 0.0003 Å |
c | 29.8244 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6619.2 ± 0.2 Å3 |
Cell temperature | 240 K |
Ambient diffraction temperature | 240 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0464 |
Weighted residual factors for all reflections included in the refinement | 0.0472 |
Goodness-of-fit parameter for significantly intense reflections | 2.48 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.39 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1559432.html
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Users of the data should acknowledge the original authors of the
structural data.