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Information card for entry 1540185
Preview
| Coordinates | 1540185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H83 B Cu Mn2 N2 O4 P Pt |
|---|---|
| Calculated formula | C70 H83 B Cu Mn2 N2 O4 P Pt |
| SMILES | [Pt]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)C(=O)[Mn]3456(C#[O])([cH]7[cH]3[cH]4[cH]5[cH]67)[B]2([Cu]=C2N(C=CN2c2ccc(cc2)C)c2ccc(cc2)C)[Mn]2345(C#[O])(C1=O)[cH]1[cH]2[cH]3[cH]4[cH]51.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 12.516 ± 0.002 Å |
| b | 13.405 ± 0.003 Å |
| c | 19.099 ± 0.004 Å |
| α | 100.262 ± 0.005° |
| β | 97.963 ± 0.005° |
| γ | 95.107 ± 0.005° |
| Cell volume | 3101.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| 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. |
1540185.cif |
| 175920 | 2016-02-04 | cif/ Updating files of 1540182, 1540183, 1540184, 1540185 Original log message: Adding full bibliography for 1540182--1540185.cif. |
1540185.cif |
| 169394 | 2015-10-21 | cif/ Adding structures of 1540182, 1540183, 1540184, 1540185 via cif-deposit CGI script. |
1540185.cif |
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