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Information card for entry 4321093
Preview
| Coordinates | 4321093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 N4 O2 |
|---|---|
| Calculated formula | C18 H24 N4 O2 |
| SMILES | O=[N](C(C)(C)C)c1cc(ncc1)c1nccc([N](=O)C(C)(C)C)c1 |
| Title of publication | Molecular Structures and Magnetic Properties of the Mixed-Ligand Complexes of Bis(hexafluoroacetylacetonato)manganese(II), -copper(II), and -zinc(II) with 4,4'-Bis(N-tert-butyl-N-oxylamino)-2,2'-bipyridine. Isosceles Triangular Hetero-Three-Spin Systems Consisting of Aminoxyls and Metal Ions |
| Authors of publication | Akira Sakane; Harumi Kumada; Satoru Karasawa; Noboru Koga; Hiizu Iwamura |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 2891 - 2896 |
| a | 8.349 ± 0.002 Å |
| b | 9.068 ± 0.002 Å |
| c | 6.7 ± 0.001 Å |
| α | 108.29 ± 0.02° |
| β | 109.18 ± 0.02° |
| γ | 100.57 ± 0.02° |
| Cell volume | 431 ± 0.2 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections | 1.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4321093.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321093.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321093.cif |
| 18440 | 2011-04-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4321093 via cif-deposit CGI script. |
4321093.cif |
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Users of the data should acknowledge the original authors of the
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