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Information card for entry 1540384
Preview
| Coordinates | 1540384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [CoCrL][BPh4] |
|---|---|
| Formula | C69 H91 B Co Cr N5 O P3 |
| Calculated formula | C69 H91 B Co Cr N5 O P3 |
| SMILES | [Cr]123N(c4c([N]1(c1ccccc1N2C[P]([Co]12[N]#CC)(C(C)C)C(C)C)c5ccccc5N3C[P]2(C(C)C)C(C)C)cccc4)C[P]1(C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1 |
| Title of publication | Configuring Bonds between First-Row Transition Metals. |
| Authors of publication | Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C. |
| Journal of publication | Accounts of chemical research |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 11 |
| Pages of publication | 2885 - 2894 |
| a | 17.8979 ± 0.0004 Å |
| b | 14.3708 ± 0.0004 Å |
| c | 26.8674 ± 0.0007 Å |
| α | 90° |
| β | 99.446 ± 0.001° |
| γ | 90° |
| Cell volume | 6816.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0845 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1540384.cif |
| 170775 | 2015-12-06 | cif/ Updating files of 1540381, 1540382, 1540383, 1540384, 1540385, 1540386 Original log message: Adding full bibliography for 1540381--1540386.cif. |
1540384.cif |
| 169676 | 2015-10-23 | cif/ Adding structures of 1540382, 1540383, 1540384, 1540385, 1540386 via cif-deposit CGI script. |
1540384.cif |
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Users of the data should acknowledge the original authors of the
structural data.