Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540184
Preview
| Coordinates | 1540184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H76 B Cu Mn2 O4 P2 Pt |
|---|---|
| Calculated formula | C50 H76 B Cu Mn2 O4 P2 Pt |
| SMILES | [Pt]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C(=O)[Mn]2345(C#[O])([cH]6[cH]2[cH]3[cH]4[cH]56)[B]21[Cu]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C(=O)[Mn]21345(C#[O])[cH]2[cH]1[cH]3[cH]4[cH]25 |
| 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 | 11.174 ± 0.0008 Å |
| b | 11.176 ± 0.0008 Å |
| c | 19.8602 ± 0.0014 Å |
| α | 83.931 ± 0.002° |
| β | 83.831 ± 0.002° |
| γ | 75.995 ± 0.002° |
| Cell volume | 2384.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1540184.cif |
| 175920 | 2016-02-04 | cif/ Updating files of 1540182, 1540183, 1540184, 1540185 Original log message: Adding full bibliography for 1540182--1540185.cif. |
1540184.cif |
| 169394 | 2015-10-21 | cif/ Adding structures of 1540182, 1540183, 1540184, 1540185 via cif-deposit CGI script. |
1540184.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.