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Information card for entry 4320376
Preview
| Coordinates | 4320376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 Cl2 N5 O2 Zn |
|---|---|
| Calculated formula | C19 H27 Cl2 N5 O2 Zn |
| SMILES | [Zn]12(Cl)(Cl)[n]3c(cccc3C3=[N]1C(C([N]3=O)(C)C)(C)C)C1=[N]2C(C([N]1=O)(C)C)(C)C |
| Title of publication | Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides |
| Authors of publication | Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Journal issue | 22 |
| Pages of publication | 5518 - 5525 |
| a | 15.0975 ± 0.0008 Å |
| b | 12.3488 ± 0.0007 Å |
| c | 24.2596 ± 0.0013 Å |
| α | 90° |
| β | 98.143 ± 0.001° |
| γ | 90° |
| Cell volume | 4477.3 ± 0.4 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210310 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4320375-4320377, 4340495-4340497. Marking entries 4340495-4340497 as duplicates of entries 4320375-4320377. |
4320376.cif |
| 179306 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320376.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320376.cif |
| 52920 | 2012-04-16 | smi/4 Adding SMILES for structures with apparent O-centred radicals. |
4320376.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320376.cif |
| 17284 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320376 via cif-deposit CGI script. |
4320376.cif |
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