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Information card for entry 7052464
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| Coordinates | 7052464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Li{N(2,6-iPr2C6H3)C(H)N(2,6-iPr2C6H3)}(PMDETA)] |
|---|---|
| Formula | C34 H58 Li N5 |
| Calculated formula | C34 H58 Li N5 |
| SMILES | N1(c2c(cccc2C(C)C)C(C)C)C=[N](c2c(cccc2C(C)C)C(C)C)[Li]231[N](C)(C)CC[N]3(C)CC[N]2(C)C |
| Title of publication | Bulky formamidinate complexes of lithium: the first examples of η2:η1-CN,N′ metal amidinate coordination |
| Authors of publication | Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2005 |
| Journal volume | 29 |
| Journal issue | 11 |
| Pages of publication | 1404 |
| a | 11.7197 ± 0.0002 Å |
| b | 16.5509 ± 0.0002 Å |
| c | 17.5383 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3401.93 ± 0.09 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052464.cif |
| 180078 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24. |
7052464.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052464.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052464.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052464.cif |
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