Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7053351
Preview
Coordinates | 7053351.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H8 Fe2 N2 O13 Re2 S2 |
---|---|
Calculated formula | C23 H8 Fe2 N2 O13 Re2 S2 |
SMILES | [Re]1([S]2[Re](S31[Fe]1([Fe]3(C#[O])(C#[O])(C#[O])c3[n]1cccc3)(C#[O])(C#[O])C#[O])([n]1c2cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | The rational synthesis of tetranuclear heterometallic butterfly clusters: reactions of [M2(CO)6(μ-pyS)2] (M = Re, Mn) with group VIII metal carbonyls |
Authors of publication | Ghosh, Shishir; Khanam, Kamrun N.; Hossain, G. M. Golzar; Haworth, Daniel T.; Lindeman, Sergey V.; Hogarth, Graeme; Kabir, Shariff E. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 9 |
Pages of publication | 1875 |
a | 10.4465 ± 0.0001 Å |
b | 15.4234 ± 0.0002 Å |
c | 18.4256 ± 0.0002 Å |
α | 86.755 ± 0.001° |
β | 84.108 ± 0.001° |
γ | 88.237 ± 0.001° |
Cell volume | 2947.39 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0295 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7053351.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.