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Information card for entry 7032922
Preview
| Coordinates | 7032922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H116 Mo5 N14 O25 P2 Ru |
|---|---|
| Calculated formula | C82 H116 Mo5 N14 O25 P2 Ru |
| SMILES | c12c3[n](c4c(cc(c(c4)C)C)[nH]3)[Ru]34([n]1c1c(cc(c(c1)C)C)[nH]2)([n]1c(c2cc(cc[n]32)C(C)(C)C)cc(cc1)C(C)(C)C)[n]1c(c2cc(cc[n]42)C(C)(C)C)cc(cc1)C(C)(C)C.c1(ccccc1)P12=[O]3[Mo]45([O]6[Mo](O4)(O1)(O[Mo]1([O]4[Mo](O[Mo]3(O5)([O]=P64c3ccccc3)(=O)=O)(O2)(O1)(=O)=O)(=O)=O)(=O)=O)(=O)=O.CN(C)C=O.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C[NH2+]C.C[NH2+]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 | 16.2245 ± 0.0013 Å |
| b | 16.8188 ± 0.0018 Å |
| c | 20.5684 ± 0.0017 Å |
| α | 73.816 ± 0.008° |
| β | 89.37 ± 0.006° |
| γ | 86.799 ± 0.008° |
| Cell volume | 5381.7 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
7032922.cif |
| 131081 | 2015-02-04 | cif/ Updating files of 7032920, 7032921, 7032922 Original log message: Adding full bibliography for 7032920--7032922.cif. |
7032922.cif |
| 125829 | 2014-10-25 | cif/ Adding structures of 7032920, 7032921, 7032922 via cif-deposit CGI script. |
7032922.cif |
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