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Information card for entry 4317623
Preview
| Coordinates | 4317623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hexakis(dimethylammonium) tetra(mu4-thio)dodecaisothiocyanatotetratungsten(III,IV) semihydrate |
|---|---|
| Formula | C24 H49 N18 O0.5 S16 W4 |
| Calculated formula | C24 H48 N18 O0.51 S16 W4 |
| Title of publication | Preparation and Properties of the Aqua Ions [W4S4(H2O)12]n+ (n= 5, 6) and Crystal Structure of (Me2NH2)6[W4S4(NCS)12].0.5H2O# |
| Authors of publication | Maxim N. Sokolov; Danil N. Dybtsev; Alexander V.Virovets; Vladimir P.Fedin; Pedro Esparza; Rita Hernandez-Molina; Dieter Fenske; A. Geoffrey Sykes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 1136 - 1139 |
| a | 22.76 ± 0.003 Å |
| b | 22.76 ± 0.003 Å |
| c | 22.76 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11790 ± 3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.1924 |
| Weighted residual factors for all reflections included in the refinement | 0.2206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4317623.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4317623.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317623.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317623.cif |
| 13899 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317623 via cif-deposit CGI script. |
4317623.cif |
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