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Information card for entry 4308137
Preview
| Coordinates | 4308137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H72 N2 O11 W2 |
|---|---|
| Calculated formula | C32 H72 N2 O11 W2 |
| SMILES | [W]12(O[W]34(=O)(OO3)OO4)(=O)(OO1)OO2.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | μ-η1:η1-Peroxo-Bridged Dinuclear Peroxotungstate Catalytically Active for Epoxidation of Olefins |
| Authors of publication | Keigo Kamata; Shinjiro Kuzuya; Kazuhiro Uehara; Syuhei Yamaguchi; Noritaka Mizuno |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3768 - 3774 |
| a | 10.5187 ± 0.0001 Å |
| b | 32.8781 ± 0.0004 Å |
| c | 11.7385 ± 0.0001 Å |
| α | 90° |
| β | 92.7546 ± 0.0007° |
| γ | 90° |
| Cell volume | 4054.89 ± 0.07 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308137.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. |
4308137.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308137.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308137.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308137.cif |
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Users of the data should acknowledge the original authors of the
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