Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7004971
Preview
Coordinates | 7004971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H49 B10 Co Mo N2 O2 S2 |
---|---|
Calculated formula | C24 H35 B10 Co Mo N2 O2 S2 |
SMILES | [Mo]123([Co]4567([S]1[C]189%10[BH]%11%12%13[BH]%14%151[BH]1%168[BH]8%179[BH]9%18%19[BH]%20%11([BH]%11%12%14[BH]%12%151[BH]%1689[BH]%18%20%11%12)[C]%10%13%17%19S2)(C3=O)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C)([n]1ccccc1)([n]1ccccc1)C#[O] |
Title of publication | Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes. |
Authors of publication | Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 7 |
Pages of publication | 749 - 758 |
a | 11.6 ± 0.004 Å |
b | 12.85 ± 0.004 Å |
c | 12.982 ± 0.004 Å |
α | 86.541 ± 0.004° |
β | 77.776 ± 0.004° |
γ | 85.741 ± 0.004° |
Cell volume | 1884 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
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/7004971.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.