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Information card for entry 4312179
Preview
| Coordinates | 4312179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Guanidinium Hexaaqua Vanadium Disulphate |
|---|---|
| Formula | C H18 N3 O14 S2 V |
| Calculated formula | C H18 N3 O14 S2 V |
| SMILES | C(=[NH2+])(N)N.[OH2][V]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-] |
| Title of publication | Structure and Bonding of the Vanadium(III) Hexa-Aqua Cation. 1. Experimental Characterization and Ligand-Field Analysis |
| Authors of publication | Philip L.W. Tregenna-Piggott; David Spichiger; Graham Carver; Beatrice Frey; Roland Meier; Høgni Weihe; John A. Cowan; Garry J. McIntyre; Gernot Zahn; Anne-Laure Barra |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8049 - 8060 |
| a | 11.8116 ± 0.0004 Å |
| b | 11.8116 ± 0.0004 Å |
| c | 9.0311 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1091.16 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 157 |
| Hermann-Mauguin space group symbol | P 3 1 m |
| Hall space group symbol | P 3 -2 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179160 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21. |
4312179.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312179.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312179.cif |
| 3684 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4312179 via cif-deposit CGI script. |
4312179.cif |
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