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Information card for entry 7011381
Preview
| Coordinates | 7011381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H22 Mn N3 O2 S |
|---|---|
| Calculated formula | C21 H22 Mn N3 O2 S |
| SMILES | [Mn]123(Oc4ccccc4C=[N]2C(C)(C)C([N]3=Cc2ccccc2O1)(C)C)N=C=S |
| Title of publication | Out-of-plane dimers of Mn(III) quadridentate Schiff-base complexes with saltmen2− and naphtmen2− ligands: structure analysis and ferromagnetic exchange |
| Authors of publication | Hitoshi Miyasaka; Rodolphe Clérac; Tomohiko Ishii; Ho-Chol Chang; Susumu Kitagawa; Masahiro Yamashita |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1528 - 1534 |
| a | 8.28 ± 0.0006 Å |
| b | 19.873 ± 0.002 Å |
| c | 12.1163 ± 0.0003 Å |
| α | 90° |
| β | 95.7988 ± 0.0006° |
| γ | 90° |
| Cell volume | 1983.5 ± 0.3 Å3 |
| Cell temperature | 293.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.675 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011381.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011381.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011381.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011381.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011381.cif |
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Users of the data should acknowledge the original authors of the
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