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Information card for entry 8102987
Preview
| Coordinates | 8102987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H50 Na2 O62 W12 |
|---|---|
| Calculated formula | H50 Na2 O62 W12 |
| SMILES | [Na]1([O]=[W]234(=O)O[W]567([O]8[W]9(=[O]1)(=O)(O[W]18(O[W]8%10(=O)([O]%11[W]%12(O[W]%13%11([O]%11[W]%14(=O)(O%12)(=O)O[W]%12%15%11(=[O][Na]([O]=[W]%11(=O)(O%13)(O[W]%13(O6)(=O)([O]7[W](O5)(=O)(O%13)([O]%12%11)O%14)O1)O%15)([OH2])([OH2])([OH2])[OH2])=O)(=O)O%10)(=O)(O8)O2)[O]39)(=O)=O)O4)=O)([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Crystal structure of hexakis(μ~3~-hydroxo)-tetra(μ~2~-hydroxo)-octadeca(μ~2~-oxo)-tetradecaoxo-disodium(I) dodecatungsten dodecahydrate, [Na(H2O)4]2(H10W12O42) · 12H2O |
| Authors of publication | Zhang, Bi-Song |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 4 |
| Pages of publication | 317 - 318 |
| a | 14.105 ± 0.003 Å |
| b | 15.729 ± 0.003 Å |
| c | 22.892 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5078.8 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302053 (current) | 2025-09-08 | Updated bibliographic information in entry 8102987. |
8102987.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102987.cif |
| 176728 | 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 8. |
8102987.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102987.cif |
| 13726 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102987 via cif-deposit CGI script. |
8102987.cif |
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Users of the data should acknowledge the original authors of the
structural data.