Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206659
Preview
Coordinates | 7206659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 N4 Ni O4 S2 |
---|---|
Calculated formula | C30 H22 N4 Ni O4 S2 |
Title of publication | Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x |
Authors of publication | Sekiya, Ryo; Nishikiori, Shin-ichi |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 21 |
Pages of publication | 6405 |
a | 9.0241 ± 0.0018 Å |
b | 11.139 ± 0.002 Å |
c | 29.368 ± 0.005 Å |
α | 73.49 ± 0.02° |
β | 32.633 ± 0.009° |
γ | 62.65 ± 0.03° |
Cell volume | 1381.1 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0656 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
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/7206659.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.