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Information card for entry 7016283
Preview
| Coordinates | 7016283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H50 Mo6 N2 Na6 O47 P4 |
|---|---|
| Calculated formula | C8 H18 Mo6 N2 Na6 O47.2 P4 |
| SMILES | C12(O[Mo]34(=O)(=O)O[Mo]56(=O)([O]3P2(=O)O[Mo](=O)(O6)(OP1(=O)[O]45)(O[Mo]12(=O)(OP3(=O)C4(CCC[NH3+])O[Mo]56(=O)(=O)O[Mo](=O)(=O)(O2)([O]35)[O]6P4(=O)O1)=O)=O)=O)CCC[NH3+].[Na+].O.O.[Na+].O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+] |
| Title of publication | Two diphosphonate-functionalized asymmetric polyoxomolybdates with catalytic activity for oxidation of benzyl alcohol to benzaldehyde. |
| Authors of publication | Tan, Huaqiao; Chen, Weilin; Liu, Ding; Feng, Xiaojia; Li, Yangguang; Yan, Aixue; Wang, Enbo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 33 |
| Pages of publication | 8414 - 8418 |
| a | 13.9198 ± 0.0007 Å |
| b | 12.9763 ± 0.0007 Å |
| c | 34.8821 ± 0.0019 Å |
| α | 90° |
| β | 97.381 ± 0.001° |
| γ | 90° |
| Cell volume | 6248.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1753 |
| Weighted residual factors for all reflections included in the refinement | 0.1813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179866 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/62. |
7016283.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016283.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016283.cif |
| 27351 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016283, 7016284 via cif-deposit CGI script. |
7016283.cif |
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