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Information card for entry 2242000
Preview
| Coordinates | 2242000.cif |
|---|---|
| Structure factors | 2242000.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium] |
|---|---|
| Formula | C32 H53 Br2 Li2 N3 O2 |
| Calculated formula | C32 H53 Br2 Li2 N3 O2 |
| Title of publication | Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex |
| Authors of publication | Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 122 - 126 |
| a | 11.8301 ± 0.0007 Å |
| b | 22.3946 ± 0.0013 Å |
| c | 13.4254 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3556.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242000.cif 2242000.hkl |
| 189999 | 2017-01-07 | cif/ hkl/ Adding structures of 2242000, 2242001 via cif-deposit CGI script. |
2242000.cif 2242000.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.