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Information card for entry 4329217
Preview
| Coordinates | 4329217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C181 H169 Cl39 N12 O42 Ru6 |
|---|---|
| Calculated formula | C177 H165 Cl27 N12 O42 Ru6 |
| SMILES | [Ru]1234567([c]8([cH]5[cH]2[c]1([cH]6[cH]78)C(C)C)C)OC(=O)c1oc(c(c1OC)OC)C(=O)O[Ru]12567([c]8([cH]5[cH]6[c]2([cH]7[cH]18)C(C)C)C)(OC(=O)c1oc(C(=O)O3)c(c1OC)OC)[n]1ccc(c2nc3nc(n2)c2cc[n]([Ru]56789%10([c]%11([cH]9[cH]5[c]6([cH]7[cH]%10%11)C(C)C)C)OC(=O)c5oc(C(=O)O[Ru]679%10%11([c]%12([cH]9[cH]%10[c]7([cH]%11[cH]6%12)C(C)C)C)(OC(=O)c6oc(c(c6OC)OC)C(=O)O8)[n]6ccc(c7nc(nc(n7)c7cc[n]4cc7)c4cc[n]([Ru]789%10%11%12([c]%13([cH]%10[cH]%11[c]7([cH]8[cH]%12%13)C(C)C)C)OC(=O)c7oc(c(c7OC)OC)C(=O)O[Ru]78%10%11%12([c]%13([cH]%11[cH]%10[c]8([cH]%12[cH]7%13)C(C)C)C)(OC(=O)c7oc(C(=O)O9)c(c7OC)OC)[n]7ccc3cc7)cc4)cc6)c(c5OC)OC)cc2)cc1.c12c3c4c5c6c1c1ccc6ccc5ccc4ccc3ccc2cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.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 | 31.172 ± 0.006 Å |
| b | 41.914 ± 0.008 Å |
| c | 35.082 ± 0.007 Å |
| α | 90° |
| β | 90.59 ± 0.03° |
| γ | 90° |
| Cell volume | 45834 ± 15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2154 |
| Residual factor for significantly intense reflections | 0.1156 |
| Weighted residual factors for significantly intense reflections | 0.301 |
| Weighted residual factors for all reflections included in the refinement | 0.3544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
| 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. |
4329217.cif |
| 78257 | 2013-04-01 | cif/ Adding structures of 4329217 via cif-deposit CGI script. |
4329217.cif |
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Users of the data should acknowledge the original authors of the
structural data.