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Information card for entry 4318479
Preview
| Coordinates | 4318479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZnCl2(NOHC(CH3)2)2 |
|---|---|
| Formula | C6 H14 Cl2 N2 O2 Zn |
| Calculated formula | C6 H14 Cl2 N2 O2 Zn |
| SMILES | C(C)(C)=[N](O)[Zn]([N](=C(C)C)O)(Cl)Cl |
| Title of publication | Zinc(II)/Ketoxime System as a Simple and Efficient Catalyst for Hydrolysis of Organonitriles |
| Authors of publication | Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4798 - 4804 |
| a | 7.1096 ± 0.0001 Å |
| b | 8.8985 ± 0.0002 Å |
| c | 10.9267 ± 0.0003 Å |
| α | 88.086 ± 0.001° |
| β | 71.811 ± 0.001° |
| γ | 67.061 ± 0.001° |
| Cell volume | 601.71 ± 0.02 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4318479.cif |
| 179264 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/84. |
4318479.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318479.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318479.cif |
| 15193 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318479 via cif-deposit CGI script. |
4318479.cif |
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Users of the data should acknowledge the original authors of the
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