Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559422
Preview
Coordinates | 1559422.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H15 N3 Ni O3 |
---|---|
Calculated formula | C20 H15 N3 Ni O3 |
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 | 14.7908 ± 0.0003 Å |
b | 14.7908 ± 0.0003 Å |
c | 29.8489 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6530 ± 0.2 Å3 |
Cell temperature | 119.97 ± 0.19 K |
Ambient diffraction temperature | 120 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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for significantly intense reflections | 2.59 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.5 |
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/1559422.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.