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Information card for entry 2227788
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| Coordinates | 2227788.cif |
|---|---|
| Structure factors | 2227788.hkl |
| Original IUCr paper | HTML |
| Chemical name | di-μ-oxido-bis[fluoridooxido(1,10-phenanthroline)vanadium(V)] |
|---|---|
| Formula | C24 H16 F2 N4 O4 V2 |
| Calculated formula | C24 H16 F2 N4 O4 V2 |
| SMILES | c1ccc2c3[n]1[V]1(F)(=O)([n]4c3c(cc2)ccc4)O[V]2(F)([n]3cccc4c3c3c(cc4)ccc[n]23)(O1)=O |
| Title of publication | A binuclear vanadium oxyfluoride: di-μ-oxido-bis[fluoridooxido(1,10-phenanthroline)vanadium(V)] |
| Authors of publication | DeBurgomaster, Paul; Zubieta, Jon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1303 |
| a | 7.832 ± 0.0009 Å |
| b | 8.4937 ± 0.001 Å |
| c | 9.2007 ± 0.0011 Å |
| α | 113.741 ± 0.003° |
| β | 102.834 ± 0.002° |
| γ | 97.848 ± 0.002° |
| Cell volume | 528.46 ± 0.11 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181198 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/77. |
2227788.cif 2227788.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227788.cif 2227788.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227788.cif 2227788.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227788.cif 2227788.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227788.cif 2227788.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227788.cif 2227788.hkl |
| 4825 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227788 via cif-deposit CGI script. |
2227788.cif |
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Users of the data should acknowledge the original authors of the
structural data.