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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1540183.cif |
| 175920 | 2016-02-04 | cif/ Updating files of 1540182, 1540183, 1540184, 1540185 Original log message: Adding full bibliography for 1540182--1540185.cif. |
1540183.cif |
| 169394 | 2015-10-21 | cif/ Adding structures of 1540182, 1540183, 1540184, 1540185 via cif-deposit CGI script. |
1540183.cif |
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.