Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2005342
Preview
Coordinates | 2005342.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II). |
---|---|
Formula | C22 H28 N6 Ni S4 |
Calculated formula | C22 H28 N6 Ni S4 |
SMILES | [Ni]12(SC(SC)=N[N]1=Cc1ccc(N(C)C)cc1)SC(SC)=N[N]2=Cc1ccc(N(C)C)cc1 |
Title of publication | Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II) |
Authors of publication | Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 9 |
Pages of publication | 2150 - 2153 |
a | 5.7712 ± 0.0003 Å |
b | 10.513 ± 0.001 Å |
c | 21.633 ± 0.002 Å |
α | 94.09 ± 0.01° |
β | 90.114 ± 0.006° |
γ | 105.871 ± 0.006° |
Cell volume | 1258.97 ± 0.18 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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections | 0.1002 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Goodness-of-fit parameter for all reflections | 0.938 |
Goodness-of-fit parameter for significantly intense reflections | 1.032 |
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/2005342.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.