Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028441
Preview
Coordinates | 7028441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H9 D5 N5 Pt S4 |
---|---|
Calculated formula | C21 H9 D5 N5 Pt S4 |
SMILES | [Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[n+]1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])Cc1ccc(cc1)C |
Title of publication | Two segregated columnar stack platinum-bis-dithiolene molecule solids showing spin-Peierls-type transition above room temperature. |
Authors of publication | Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Yang, Hao; Ren, Xiao-Ming |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 7 |
Pages of publication | 2997 - 3004 |
a | 7.3308 ± 0.0008 Å |
b | 12.2848 ± 0.0013 Å |
c | 26.93 ± 0.003 Å |
α | 88.479 ± 0.003° |
β | 86.652 ± 0.004° |
γ | 75.563 ± 0.003° |
Cell volume | 2344.5 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1053 |
Residual factor for significantly intense reflections | 0.0802 |
Weighted residual factors for significantly intense reflections | 0.2044 |
Weighted residual factors for all reflections included in the refinement | 0.2112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
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/7028441.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.