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Information card for entry 4509926
Preview
| Coordinates | 4509926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H108 O18 Ru6 Sn6 |
|---|---|
| Calculated formula | C90 H108 O18 Ru6 Sn6 |
| SMILES | O1[Sn]234([O]=C(O[Sn]567([O]2[Sn]28([O]=C([c]9%10[cH]%11[cH]%12[cH]%13[cH]9[Ru]9%14%15%16%10%11%12%13[cH]%10[cH]9[cH]%16[cH]%14[cH]%15%10)[O][Sn]9%10([O]=C([c]%11%12[cH]%13[cH]%14[cH]%15[cH]%11[Ru]%11%16%17%18%12%13%14%15[cH]%12[cH]%11[cH]%18[cH]%16[cH]%17%12)O[Sn]%11%12(OC(=[O][Sn](OC(=[O]7)[c]7%13[cH]%14[cH]%15[cH]%16[cH]7[Ru]7%17%18%19%13%14%15%16[cH]%13[cH]7[cH]%17[cH]%18[cH]%19%13)([O]35)([O]6%11)(CCCC)[O]%10%12)[c]35[cH]6[cH]7[cH]9[cH]3[Ru]3%10%11%125679[cH]5[cH]3[cH]%10[cH]%12[cH]5%11)([O]29)CCCC)([O]48)CCCC)([O]=C1[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]8[cH]7[cH]62)CCCC)CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)CCCC |
| Title of publication | Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2 |
| Authors of publication | Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 861 |
| a | 12.959 ± 0.005 Å |
| b | 13.832 ± 0.005 Å |
| c | 14.44 ± 0.005 Å |
| α | 69.617 ± 0.005° |
| β | 66.648 ± 0.005° |
| γ | 79.195 ± 0.005° |
| Cell volume | 2223.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179635 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99. |
4509926.cif |
| 104132 | 2014-03-10 | cif/ Adding structures of 4509926, 4509927, 4509928, 4509929, 4509930, 4509931 via cif-deposit CGI script. |
4509926.cif |
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Users of the data should acknowledge the original authors of the
structural data.