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Information card for entry 7004734
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| Coordinates | 7004734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis((mu!2$-Oxo)-(2,2'-bipyridyl-N,N')-fluoro-oxo-vanadium(v)) |
|---|---|
| Chemical name | bis((mu!2$-Oxo)-(2,2'-bipyridyl-N,N')-fluoro-oxo-vanadium(v)) |
| Formula | C20 H16 F2 N4 O4 V2 |
| Calculated formula | C20 H16 F2 N4 O4 V2 |
| SMILES | c1[n]2c(ccc1)c1cccc[n]1[V]12(F)(=O)O[V]2(F)([n]3ccccc3c3cccc[n]23)(=O)O1 |
| 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 | 6.3764 ± 0.0015 Å |
| b | 15.828 ± 0.003 Å |
| c | 10.287 ± 0.002 Å |
| α | 90° |
| β | 107.869 ± 0.01° |
| γ | 90° |
| Cell volume | 988.1 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0743 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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. |
7004734.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004734.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004734.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. | 7004734.cif |
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