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Information card for entry 1540182
Preview
| Coordinates | 1540182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 B2 Cu2 Mn4 O8 |
|---|---|
| Calculated formula | C28 H20 B2 Cu2 Mn4 O8 |
| SMILES | [Cu]123456[B]7([Mn]89%10%11%12(C(=O)[Cu]%13%14178[B]3([Mn]1378%13(C#[O])(C%14=O)[cH]%13[cH]8[cH]7[cH]3[cH]1%13)[Mn]13785(C4=O)(C#[O])[cH]4[cH]1[cH]3[cH]7[cH]84)(C#[O])[cH]1[cH]9[cH]%11[cH]%10[cH]%121)[Mn]13452(C#[O])(C6=O)[cH]2[cH]5[cH]1[cH]3[cH]42 |
| 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 | 12.657 ± 0.0012 Å |
| b | 17.3227 ± 0.0016 Å |
| c | 13.6878 ± 0.0013 Å |
| α | 90° |
| β | 91.065 ± 0.004° |
| γ | 90° |
| Cell volume | 3000.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
1540182.cif |
| 175920 | 2016-02-04 | cif/ Updating files of 1540182, 1540183, 1540184, 1540185 Original log message: Adding full bibliography for 1540182--1540185.cif. |
1540182.cif |
| 169394 | 2015-10-21 | cif/ Adding structures of 1540182, 1540183, 1540184, 1540185 via cif-deposit CGI script. |
1540182.cif |
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Users of the data should acknowledge the original authors of the
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