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Information card for entry 4339663
Preview
| Coordinates | 4339663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H50 O16 V4 |
|---|---|
| Calculated formula | C32 H50 O16 V4 |
| SMILES | O1[V]23(=O)([O]=C(C=C1C)C)[O]1[V]456([O]=C(C=C(O4)C)C)[O]42[V]278([O]=C(C=C(O2)C)C)[O]2[V]9(OC(=CC(=[O]9)C)C)([O]57CC(C1)(C[O]38)CC)([O]6CC(C2)(C4)CC)=O |
| Title of publication | Synthesis, structural, and magnetic studies on a redox family of tetrametallic vanadium clusters: {VIV4}, {VIII2VIV2}, and {VIII4} butterfly complexes. |
| Authors of publication | Tidmarsh, Ian S.; Scales, Emma; Brearley, Paul R.; Wolowska, Joanna; Sorace, Lorenzo; Caneschi, Andrea; Laye, Rebecca H.; McInnes, Eric J. L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 9743 - 9753 |
| a | 16.4089 ± 0.0006 Å |
| b | 14.1745 ± 0.0005 Å |
| c | 16.569 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3853.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339663.cif |
| 179499 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96. |
4339663.cif |
| 117460 | 2014-06-15 | cif/ Adding structures of 4339663 via cif-deposit CGI script. |
4339663.cif |
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Users of the data should acknowledge the original authors of the
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