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Information card for entry 7032921
Preview
| Coordinates | 7032921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H48 Mo6 N12 O19 Ru2 |
|---|---|
| Calculated formula | C58 H48 Mo6 N12 O19 Ru2 |
| SMILES | c12c3[n](cccc3)[Ru]34([n]5c(c6[n]4cccc6)cccc5)(n4c5cc(C)c(cc5[n]5c4c4n3c3c(cc(C)c(c3)C)[n]4[Ru]345([n]5c(cccc5)c5cccc[n]35)[n]3c(c5[n]4cccc5)cccc3)C)[n]2cccc1.O=[Mo]1234O[Mo]567(O[Mo]89%10(=O)O[Mo]%11(O2)(O6)(O[Mo]2(O3)(O[Mo](O1)(O5)(=O)(O8)[O]47%10%112)(=O)O9)=O)=O |
| Title of publication | Cluster-controlled dimerisation in supramolecular ruthenium photosensitizer-polyoxometalate systems. |
| Authors of publication | Heussner, Kirsten; Peuntinger, Katrin; Rockstroh, Nils; Rau, Sven; Streb, Carsten |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 330 - 337 |
| a | 23.524 ± 0.005 Å |
| b | 18.492 ± 0.004 Å |
| c | 19.764 ± 0.004 Å |
| α | 90° |
| β | 113.388 ± 0.004° |
| γ | 90° |
| Cell volume | 7891 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032921.cif |
| 180035 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032921.cif |
| 131081 | 2015-02-04 | cif/ Updating files of 7032920, 7032921, 7032922 Original log message: Adding full bibliography for 7032920--7032922.cif. |
7032921.cif |
| 125829 | 2014-10-25 | cif/ Adding structures of 7032920, 7032921, 7032922 via cif-deposit CGI script. |
7032921.cif |
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