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Information card for entry 7004738
Preview
| Coordinates | 7004738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dioxotris(triphenylphosphine oxide-O)vanadium(V) dichlorodioxovanadate |
|---|---|
| Chemical name | Dioxotris(triphenylphosphine oxide-O)vanadium(V) dichlorodioxovanadate |
| Formula | C54 H45 Cl2 O7 P3 V2 |
| Calculated formula | C54 H45 Cl2 O7 P3 V2 |
| SMILES | [V]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)=O.[V](Cl)(Cl)(=O)=O |
| Title of publication | Synthesis, chemistry and structures of complexes of the dioxovanadium(v) halides VO2F and VO2Cl |
| Authors of publication | Davis, Martin F.; Jura, Marek; Leung, Alethea; Levason, William; Littlefield, Benjamin; Reid, Gillian; Webster, Michael |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 44 |
| Pages of publication | 6265 - 6273 |
| a | 12.431 ± 0.004 Å |
| b | 14.08 ± 0.004 Å |
| c | 14.558 ± 0.004 Å |
| α | 94.45 ± 0.02° |
| β | 94.367 ± 0.015° |
| γ | 97.27 ± 0.02° |
| Cell volume | 2510.4 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.1919 |
| Weighted residual factors for all reflections included in the refinement | 0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179751 (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 7/00/47. |
7004738.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004738.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004738.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004738.cif |
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