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Information card for entry 7032920
Preview
| Coordinates | 7032920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H140 Mo6 N16 O23 Ru2 |
|---|---|
| Calculated formula | C102 H140 Mo6 N16 O23 Ru2 |
| SMILES | c12n3c4c(cc(c(c4)C)C)[n]2[Ru]24(n5c1[n](c1c5cc(c(c1)C)C)[Ru]153([n]3c(c6[n]1ccc(c6)C(C)(C)C)cc(cc3)C(C)(C)C)[n]1c(c3[n]5ccc(c3)C(C)(C)C)cc(cc1)C(C)(C)C)([n]1c(c3[n]2ccc(c3)C(C)(C)C)cc(cc1)C(C)(C)C)[n]1c(c2[n]4ccc(c2)C(C)(C)C)cc(cc1)C(C)(C)C.N(C=O)(C)C.O1[Mo]234(O[Mo]567([O]89%103[Mo]3%11(O6)(O[Mo]%10(O2)(O[Mo]8(O4)(O[Mo]19(O5)(=O)O%11)(=O)O3)(O7)=O)=O)=O)=O.C(=O)N(C)C.N(C=O)(C)C.N(C=O)(C)C |
| 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 | 13.7646 ± 0.0009 Å |
| b | 15.249 ± 0.002 Å |
| c | 15.6263 ± 0.0009 Å |
| α | 83.004 ± 0.007° |
| β | 86.889 ± 0.005° |
| γ | 77.038 ± 0.007° |
| Cell volume | 3171.3 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (current) | 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. |
7032920.cif |
| 131081 | 2015-02-04 | cif/ Updating files of 7032920, 7032921, 7032922 Original log message: Adding full bibliography for 7032920--7032922.cif. |
7032920.cif |
| 125829 | 2014-10-25 | cif/ Adding structures of 7032920, 7032921, 7032922 via cif-deposit CGI script. |
7032920.cif |
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