Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2203567
Preview
Coordinates | 2203567.cif |
---|---|
Structure factors | 2203567.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[2-(2-pyridinyl)-4,4,5,5-tetramethylimidazoline-1- oxyl]thiocyanatonickel(II)]-μ-thiocyanato] |
---|---|
Formula | C14 H16 N5 Ni O S2 |
Calculated formula | C14 H16 N5 Ni O S2 |
SMILES | [Ni]1([N]2=C([N](=O)C(C)(C)C2(C)C)c2[n]1cccc2)(N=C=S)SC#[N][Ni]1([N]2=C([N](=O)C(C)(C)C2(C)C)c2[n]1cccc2)(N=C=S)SC#N |
Title of publication | A one-dimensional polymeric nickel(II) complex of an imino nitroxide radical with thiocyanate bridges |
Authors of publication | Wang, Shu-Ping; Gao, Dong-Zhao; Liao, Dai-Zheng; Jiang, Zong-Hui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 5 |
Pages of publication | m682 - m684 |
a | 8.364 ± 0.004 Å |
b | 9.463 ± 0.005 Å |
c | 22.411 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1773.8 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0789 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203567.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.