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Information card for entry 7010918
Preview
| Coordinates | 7010918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dodecakis(μ^3^-Oxo)-hexadecakis(μ^2^-bromoacetato)-tetra-aqua- tetra-manganese(iv)-octa-manganese(iii) tetra-dichloromethane solvate |
|---|---|
| Formula | C36 H48 Br16 Cl8 Mn12 O48 |
| Calculated formula | C36 H40 Br16 Cl8 Mn12 O48 |
| Title of publication | Synthesis, X-ray characterization and single molecule magnetic behaviour of [Mn12O12(O2CCH2X)16(H2O)4]·mCH2Cl2·nH2O (1: X = Cl, m = 2, n = 6; 2: X = Br, m = 4, n = 0) |
| Authors of publication | An, Jin; Chen, Zhi-Da; Zhang, Xi-Xiang; Raubenheimer, Helgard G.; Esterhuysen, Catharine; Gao, Song; Xu, Guang-Xian |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 22 |
| Pages of publication | 3352 |
| a | 26.647 ± 0.004 Å |
| b | 26.647 ± 0.004 Å |
| c | 12.85 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9124 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1101 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1992 |
| Weighted residual factors for all reflections included in the refinement | 0.2241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010918.cif |
| 179813 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/09. |
7010918.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010918.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010918.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010918.cif |
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