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Information card for entry 4325121
Preview
| Coordinates | 4325121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [Lithium di(1,4,7,10-tetraoxacyclododecane)] Manganese(III) tetrakis(bistert-butyl ketimide) |
|---|---|
| Formula | C52 H104 Li Mn N4 O8 |
| Calculated formula | C52 H104 Li Mn N4 O8 |
| SMILES | [Mn](N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C.[O]12CC[O]3CC[O]4CC[O](CC1)[Li]156234[O]2CC[O]6CC[O]1CC[O]5CC2 |
| Title of publication | Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4 |
| Authors of publication | Richard A. Lewis; Guang Wu; Trevor W. Hayton |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4660 - 4668 |
| a | 13.611 ± 0.003 Å |
| b | 13.612 ± 0.003 Å |
| c | 16.36 ± 0.004 Å |
| α | 105.791 ± 0.005° |
| β | 92.476 ± 0.005° |
| γ | 90.013 ± 0.005° |
| Cell volume | 2913.7 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1654 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325121.cif |
| 179354 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51. |
4325121.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325121.cif |
| 43573 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325121 via cif-deposit CGI script. |
4325121.cif |
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Users of the data should acknowledge the original authors of the
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