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Information card for entry 4343897
Preview
| Coordinates | 4343897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 13091 |
|---|---|
| Formula | C43 H68 Cr2 K N4 O P3 |
| Calculated formula | C43 H68 Cr2 K N4 O P3 |
| SMILES | [K+].[Cr]1234[Cr]56[P](CN2c2c([N]1(c1ccccc1N3C[P]5(C(C)C)C(C)C)c1ccccc1N4C[P]6(C(C)C)C(C)C)cccc2)(C(C)C)C(C)C.C1CCCO1 |
| Title of publication | Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping. |
| Authors of publication | Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 7579 - 7592 |
| a | 12.9903 ± 0.0019 Å |
| b | 27.035 ± 0.004 Å |
| c | 14.055 ± 0.002 Å |
| α | 90° |
| β | 93.906 ± 0.002° |
| γ | 90° |
| Cell volume | 4924.5 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| 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. |
4343897.cif |
| 160490 | 2015-10-06 | cif/ Updating files of 4343895, 4343896, 4343897, 4343898, 4343899 Original log message: Adding full bibliography for 4343895--4343899.cif. |
4343897.cif |
| 151477 | 2015-07-14 | cif/ Adding structures of 4343895, 4343896, 4343897, 4343898, 4343899 via cif-deposit CGI script. |
4343897.cif |
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Users of the data should acknowledge the original authors of the
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