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Information card for entry 8000069
Preview
| Coordinates | 8000069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cu18 |
|---|---|
| Formula | C84 H124 Cu18 N12 O76 P8 |
| Calculated formula | C84 H124 Cu18 N12 O76 P8 |
| Title of publication | Structure and Magnetic Property of an Octadecanuclear Cu(II) Complex |
| Authors of publication | Takuya Shiga; Kazuya Maruyama; Lingqin Han; Hiroki Oshio |
| Journal of publication | Chemistry Letters |
| Year of publication | 2005 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 1648 |
| a | 28.958 ± 0.005 Å |
| b | 30.017 ± 0.005 Å |
| c | 17.204 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14954 ± 5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.1954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8000069.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
8000069.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8000069.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8000069.cif |
| 38 | 2008-01-28 | Adding CIF files from the xyz-extraction/deposit/deposition-2008.01.28/cif/ directory. (Chemistry_Letters-2005-issues10-12 and Organometallics-2006-2007-issue2 ) |
8000069.cif |
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Users of the data should acknowledge the original authors of the
structural data.