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Information card for entry 4325123
Preview
| Coordinates | 4325123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | di(Manganese (II) ketimide) Manganese (II) tetrakis(bistert-butyl ketimide) |
|---|---|
| Formula | C54 H108 Mn3 N6 |
| Calculated formula | C54 H108 Mn3 N6 |
| SMILES | CC(C(=N[Mn]12[N](=C(C(C)(C)C)C(C)(C)C)[Mn]342([N]1=C(C(C)(C)C)C(C)(C)C)[N](=C(C(C)(C)C)C(C)(C)C)[Mn]4(N=C(C(C)(C)C)C(C)(C)C)[N]3=C(C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C |
| 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 | 32.201 ± 0.004 Å |
| b | 11.2776 ± 0.0015 Å |
| c | 22.819 ± 0.003 Å |
| α | 90° |
| β | 133.615 ± 0.002° |
| γ | 90° |
| Cell volume | 5999.5 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1423 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
4325123.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. |
4325123.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325123.cif |
| 43575 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325123 via cif-deposit CGI script. |
4325123.cif |
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