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Information card for entry 4320377
Preview
| Coordinates | 4320377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H35 Cl2 N5 Ni O6 |
|---|---|
| Calculated formula | C19 H35 Cl2 N5 Ni O6 |
| SMILES | [Ni]12(Cl)([OH2])([OH2])[n]3c(cccc3C3=[N]2C(C([N]3=O)(C)C)(C)C)C2=[N]1C(C([N]2=O)(C)C)(C)C.[Cl-].O.O |
| 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 | 6.5936 ± 0.0002 Å |
| b | 13.2244 ± 0.0004 Å |
| c | 16.2682 ± 0.0005 Å |
| α | 108.163 ± 0.001° |
| β | 100.676 ± 0.001° |
| γ | 92.614 ± 0.001° |
| Cell volume | 1316.38 ± 0.07 Å3 |
| Cell temperature | 203 K |
| Ambient diffraction temperature | 203 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4320377.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. |
4320377.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320377.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320377.cif |
| 17285 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320377 via cif-deposit CGI script. |
4320377.cif |
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