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Information card for entry 7011339
Preview
| Coordinates | 7011339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H62 N4 Zn2 |
|---|---|
| Calculated formula | C62 H62 N4 Zn2 |
| SMILES | C(c1ccccc1)[N]1(Cc2ccccc2)[Zn]2(N(Cc3ccccc3)Cc3ccccc3)[N](Cc3ccccc3)(Cc3ccccc3)[Zn]12N(Cc1ccccc1)Cc1ccccc1.c1ccccc1 |
| Title of publication | An unexpected transamination of bis[bis(trimethylsilyl)amido]zinc with dibenzylamine to form bis(dibenzylamido)zinc: structural studies by NMR spectroscopy, X-ray crystallography and theoretical calculations |
| Authors of publication | David R. Armstrong; Glenn C. Forbes; Robert E. Mulvey; William Clegg; Duncan M. Tooke |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 8 |
| Pages of publication | 1656 - 1661 |
| a | 10.153 ± 0.0007 Å |
| b | 12.1247 ± 0.0008 Å |
| c | 12.6655 ± 0.0009 Å |
| α | 67.811 ± 0.002° |
| β | 73.637 ± 0.002° |
| γ | 65.482 ± 0.002° |
| Cell volume | 1298.97 ± 0.16 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011339.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011339.cif |
| 179817 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/13. |
7011339.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011339.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011339.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011339.cif |
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