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Information card for entry 7010587
Preview
| Coordinates | 7010587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 B Cl Mo N7 O2 |
|---|---|
| Calculated formula | C21 H26 B Cl Mo N7 O2 |
| Title of publication | Electronic and magnetic metal‒metal interactions in dinuclear oxomolybdenum(V) complexes across bis-phenolate bridging ligands with different spacers between the phenolate termini: ligand-centred vs. metal-centred redox activity |
| Authors of publication | Bayly, Simon R.; Humphrey, Elizabeth R.; de Chair, Helena; Paredes, Cecilia G.; Bell, Zoe R.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Totti, Federico; Gatteschi, Dante; Courric, Stephane; Steele, Barry R.; Screttas, Constantinos G. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 9 |
| Pages of publication | 1401 |
| a | 11.06 ± 0.005 Å |
| b | 11.916 ± 0.005 Å |
| c | 11.985 ± 0.006 Å |
| α | 119.69 ± 0.02° |
| β | 114.15 ± 0.04° |
| γ | 90.46 ± 0.04° |
| Cell volume | 1207 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1588 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| 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. |
7010587.cif |
| 179809 | 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 7/01/05. |
7010587.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010587.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010587.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010587.cif |
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