Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540183
Preview
Coordinates | 1540183.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H20 Au2 B2 Mn4 O8 |
---|---|
Calculated formula | C28 H20 Au2 B2 Mn4 O8 |
SMILES | [Au]12345[Au]678([Mn]9%10%11%12(C#[O])(C#[O])([cH]%13[cH]9[cH]%10[cH]%11[cH]%12%13)[B]58[Mn]589%102(C#[O])(C#[O])[cH]2[cH]5[cH]8[cH]9[cH]%102)[Mn]2589(C#[O])(C6=O)([cH]6[cH]9[cH]8[cH]5[cH]26)[B]47[Mn]24561(C#[O])(C3=O)[cH]1[cH]6[cH]5[cH]4[cH]21 |
Title of publication | Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters |
Authors of publication | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 109 |
a | 17.4662 ± 0.0013 Å |
b | 12.1607 ± 0.0009 Å |
c | 15.4013 ± 0.0018 Å |
α | 90° |
β | 119.822 ± 0.002° |
γ | 90° |
Cell volume | 2838.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0195 |
Residual factor for significantly intense reflections | 0.0167 |
Weighted residual factors for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections included in the refinement | 0.0409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/1540183.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.