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Information card for entry 7006403
Preview
| Coordinates | 7006403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73.5 H122.5 O29.75 V6 |
|---|---|
| Calculated formula | C72 H100 O29 V6 |
| SMILES | [V]1234([O](CCC)[V]56(OC(=[O][V]7([O](CCC)[V]89(OC(=[O][V]%10([O](CCC)[V](OC(=[O]1)c1ccccc1)([O]=C(O2)c1ccccc1)([O]%10CCC)(O4)=O)(OC(=[O]8)c1ccccc1)(OCCC)O9)c1ccccc1)([O]7CCC)=O)(OC(=[O]6)c1ccccc1)(OCCC)O5)c1ccccc1)([O]3CCC)=O)OCCC.OCCC.O |
| Title of publication | Polynuclear vanadium complexes from thermal decomposition of [V3O(O2CPh)6(H2O)3]Cl. |
| Authors of publication | Sañudo, E Carolina; Smith, Andrew A.; Mason, Pamela V.; Helliwell, Madeleine; Aromí, Guillem; Winpenny, Richard E. P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 16 |
| Pages of publication | 1981 - 1987 |
| a | 27.942 ± 0.01 Å |
| b | 27.942 Å |
| c | 25.627 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20008 ± 8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1328 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7006403.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006403.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006403.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006403.cif |
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Users of the data should acknowledge the original authors of the
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