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Information card for entry 7002683
Preview
| Coordinates | 7002683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H42 Cl5 N6 O6 V3 |
|---|---|
| Calculated formula | C36 H42 Cl5 N6 O6 V3 |
| SMILES | [V]12([O]3[V]4567[O]([C@H]8CC([OH]4)C[C@@H]([O]17)C8)[V]1(Cl)(Cl)([O]6[C@@H]4CC([OH]5)C[C@H]3C4)[n]3c(cccc3)c3[n]1cccc3)(Cl)(Cl)[n]1c(cccc1)c1[n]2cccc1.[Cl-].N#CC.N#CC |
| Title of publication | Tri-, tetra- and octa-metallic vanadium(III) clusters from new, simple starting materials: interplay of exchange and anisotropy effects |
| Authors of publication | Tidmarsh, Ian S.; Batchelor, Luke J.; Scales, Emma; Laye, Rebecca H.; Sorace, Lorenzo; Caneschi, Andrea; Schnack, Jürgen; McInnes, Eric J. L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 43 |
| Pages of publication | 9402 - 9409 |
| a | 22.4708 ± 0.0019 Å |
| b | 14.8055 ± 0.0013 Å |
| c | 12.4733 ± 0.0011 Å |
| α | 90° |
| β | 100.043 ± 0.007° |
| γ | 90° |
| Cell volume | 4086.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179730 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26. |
7002683.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002683.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002683.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002683.cif |
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