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Information card for entry 4313624
Preview
| Coordinates | 4313624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 Mo7 N4 O33.5 Os S3 |
|---|---|
| Calculated formula | C6 Mo7 N4 O33.5 Os S3 |
| SMILES | [Os]12(O[Mo]34([O]5[Mo]678([O]9[Mo]%10(=O)(=O)([O]%11[Mo]%12([O]6%13%14[Mo]%119(O[Mo]%14(O[Mo]5%13([O]3%12)(=O)=O)(=O)(O8)=O)(=O)=O)(=O)(O1)[O]47%10)O2)=O)(=O)=O)([S](=O)(C)C)([S](=O)(C)C)[S](=O)(C)C.[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.O |
| Title of publication | Preparation and Characterization of New Ruthenium and Osmium Containing Polyoxometalates, [M(DMSO)3Mo7O24]4- (M = Ru(II), Os(II)), and Their Use as Catalysts for the Aerobic Oxidation of Alcohols |
| Authors of publication | Alexander M. Khenkin; Linda J. W. Shimon; Ronny Neumann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3331 - 3339 |
| a | 36.387 ± 0.007 Å |
| b | 12.248 ± 0.002 Å |
| c | 22.342 ± 0.005 Å |
| α | 90° |
| β | 124.23 ± 0.03° |
| γ | 90° |
| Cell volume | 8232 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4313624.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313624.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313624.cif |
| 6693 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313624 via cif-deposit CGI script. |
4313624.cif |
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