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Information card for entry 4067298
Preview
| Coordinates | 4067298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(3,5-dimethylpyridine)-bis(s-butyl)-zinc toluene clathrate |
|---|---|
| Formula | C29 H44 N2 Zn |
| Calculated formula | C29 H44 N2 Zn |
| SMILES | C[C@H](CC)[Zn]([C@H](C)CC)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C.c1(ccccc1)C.C[C@@H](CC)[Zn]([C@@H](C)CC)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C.c1(ccccc1)C |
| Title of publication | Toward Total Spontaneous Resolution ofsec-Butylzinc Complexes |
| Authors of publication | Lennartson, Anders; Hedström, Anna; Håkansson, Mikael |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 177 |
| a | 13.4621 ± 0.0018 Å |
| b | 12.1885 ± 0.0015 Å |
| c | 17.359 ± 0.002 Å |
| α | 90° |
| β | 96.49 ± 0.005° |
| γ | 90° |
| Cell volume | 2830.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1612 |
| Weighted residual factors for all reflections included in the refinement | 0.1651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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 |
|---|---|---|---|
| 178563 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72. |
4067298.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067298.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067298.cif |
| 34151 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067291, 4067292, 4067293, 4067294, 4067295, 4067296, 4067297, 4067298 via cif-deposit CGI script. |
4067298.cif |
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