Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217189
Preview
Coordinates | 7217189.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 N Ni S10 |
---|---|
Calculated formula | C19 H22 N Ni S10 |
SMILES | [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[N+](Cc1ccccc1)(CC)(CC)CC |
Title of publication | Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2) |
Authors of publication | Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 37 |
Pages of publication | 8717 |
a | 9.6795 ± 0.0009 Å |
b | 11.1962 ± 0.0011 Å |
c | 12.7101 ± 0.0013 Å |
α | 85.342 ± 0.003° |
β | 74.876 ± 0.003° |
γ | 85.864 ± 0.003° |
Cell volume | 1323.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0454 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 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/7217189.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.