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Information card for entry 4105488
Preview
| Coordinates | 4105488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [NH4][Zn(CO2-CN4-C6H4-CO2)(H2O)2] |
|---|---|
| Formula | C18 H24 N10 O12 Zn |
| Calculated formula | C18 H24 N10 O12 Zn |
| SMILES | [NH4+].[OH2][Zn]([OH2])(OC(=O)c1nn(c2ccc(C(=O)[O-])cc2)nn1)(OC(=O)c1nn(c2ccc(C(=O)[O-])cc2)nn1)([OH2])[OH2].[NH4+] |
| Title of publication | Direct Observation of a Photoinduced Nonstabilized Nitrile Imine Structure in the Solid State |
| Authors of publication | Shao-Liang Zheng; Yizhong Wang; Zhipeng Yu; Qing Lin; Philip Coppens |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 18036 - 18037 |
| a | 7.2682 ± 0.0004 Å |
| b | 7.2725 ± 0.0004 Å |
| c | 12.8156 ± 0.0007 Å |
| α | 86.806 ± 0.001° |
| β | 84.082 ± 0.001° |
| γ | 63.867 ± 0.001° |
| Cell volume | 604.88 ± 0.06 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.024 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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 |
|---|---|---|---|
| 178800 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/54. |
4105488.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105488.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105488.cif |
| 30684 | 2011-11-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4105488 via cif-deposit CGI script. |
4105488.cif |
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Users of the data should acknowledge the original authors of the
structural data.