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Information card for entry 1519109
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| Coordinates | 1519109.cif |
|---|
| Chemical name | Tetrasodium Hexahydroxonickelohexatungstate-octadecaoxide hexadecahydrate |
|---|---|
| Formula | H38 Na4 Ni O40 W6 |
| Calculated formula | H38 Na4 Ni O40 W6 |
| SMILES | [W]123([OH]4[W]5([OH]6[W]7([OH]8[W]9([OH]%10[W]%11([OH]%12[W]([OH]1[Ni]468%10%12)(O2)(=O)(=O)O%11)(O9)(=O)=[O]1)(O7)(=O)=[O][Na]2([OH2])([OH2])([OH2])[OH2][Na]1([OH2])([OH2])([OH2])[OH2]2)(O5)(=O)=O)(O3)(=O)=[O]1)(=O)=[O][Na]2([OH2])([OH2])([OH2])[OH2][Na]1([OH2])([OH2])([OH2])[OH2]2 |
| Title of publication | Phase formation in the Ni2±WO42‒H±H2O system (Z = 1.00). Crystal structure and properties of sodium heteropolyhexatungsten nickelate(2+) Na4[Ni(OH)6W8O18].16H2O |
| Authors of publication | G. M. Rozantsev; S. V. Radio; N. I. Gumerova; V. N. Baumev; O. B. Shishkin |
| Journal of publication | Journal of Structural Chemistry |
| Year of publication | 2009 |
| Journal volume | 50 |
| Pages of publication | 296 - 305 |
| a | 8.0089 ± 0.0011 Å |
| b | 10.5758 ± 0.0014 Å |
| c | 12.1987 ± 0.0016 Å |
| α | 69.268 ± 0.013° |
| β | 71.069 ± 0.012° |
| γ | 83.816 ± 0.011° |
| Cell volume | 914 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0469 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519109.cif |
| 135411 | 2015-04-29 | cif/ Adding structures of 1519109 via cif-deposit CGI script. |
1519109.cif |
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Users of the data should acknowledge the original authors of the
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