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Information card for entry 4329216
Preview
| Coordinates | 4329216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152 H152 Cl24 N12 O42 Ru6 |
|---|---|
| Calculated formula | C148 H148 Cl12 N12 O42 Ru6 |
| SMILES | [Ru]1234567([c]8(C)[cH]4[cH]5[c]1([cH]6[cH]78)C(C)C)OC(=O)C1OC(=C(C=1OC)OC)C(=O)O[Ru]14567([c]8([cH]5[cH]6[c]4([cH]1[cH]78)C(C)C)C)(OC(=O)C1OC(=C(C=1OC)OC)C(=O)O2)[n]1ccc(c2nc4nc(n2)c2cc[n]([Ru]56789%10([c]%11(C)[cH]5[cH]8[c]6([cH]9[cH]%10%11)C(C)C)OC(=O)c5oc(C(=O)O[Ru]689%10%11([c]%12(C)[cH]6[cH]9[c]8([cH]%10[cH]%11%12)C(C)C)(OC(=O)c6oc(c(c6OC)OC)C(=O)O7)[n]6ccc(c7nc(nc(n7)c7cc[n]([Ru]89%10%11%12%13([c]%14(C)[cH]8[cH]%11[c]9([cH]%12[cH]%13%14)C(C)C)OC(=O)c8oc(c(c8OC)OC)C(=O)O[Ru]89%11%12%13([c]%14([cH]%11[cH]%12[c]8([cH]%13[cH]9%14)C(C)C)C)(OC(=O)c8oc(C(=O)O%10)c(c8OC)OC)[n]8ccc4cc8)cc7)c4cc[n]3cc4)cc6)c(c5OC)OC)cc2)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures |
| Authors of publication | Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 5795 - 5804 |
| a | 15.589 ± 0.003 Å |
| b | 17.849 ± 0.004 Å |
| c | 41.003 ± 0.008 Å |
| α | 88.71 ± 0.03° |
| β | 89.42 ± 0.03° |
| γ | 88.87 ± 0.03° |
| Cell volume | 11403 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1588 |
| Residual factor for significantly intense reflections | 0.1186 |
| Weighted residual factors for significantly intense reflections | 0.3136 |
| Weighted residual factors for all reflections included in the refinement | 0.3437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179395 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/92. |
4329216.cif |
| 78256 | 2013-04-01 | cif/ Adding structures of 4329216 via cif-deposit CGI script. |
4329216.cif |
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Users of the data should acknowledge the original authors of the
structural data.