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Information card for entry 4509927
Preview
| Coordinates | 4509927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H132 O18 Ru6 Sn6 |
|---|---|
| Calculated formula | C144 H132 O18 Ru6 Sn6 |
| SMILES | c1(ccccc1)[Sn]1234[O]=C([c]56[cH]7[cH]8[cH]9[cH]5[Ru]5%10%11%126789[cH]6[cH]5[cH]%12[cH]%10[cH]%116)O[Sn]567([O]1[Sn]18([O]=C([c]9%10[cH]%11[cH]%12[cH]%13[cH]9[Ru]9%14%15%16%10%11%12%13[cH]%12[cH]9[cH]%16[cH]%14[cH]%15%12)O[Sn]9%10([O]1[Sn]1%11([O]=C([c]%12%13[cH]%14[cH]%15[cH]%16[cH]%13[Ru]%13%17%18%19%12%14%15%16[cH]%15[cH]%13[cH]%19[cH]%17[cH]%18%15)O[Sn]([O]21)([O]=C([c]12[cH]%12[cH]%13[cH]%14[cH]1[Ru]1%15%16%172%12%13%14[cH]2[cH]1[cH]%15[cH]%16[cH]%172)O3)([O]9%11)([O]45)c1ccccc1)(c1ccccc1)OC(=[O]%10)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]19%10%112345[cH]2[cH]1[cH]9[cH]%10[cH]%112)([O]68)c1ccccc1)(c1ccccc1)OC(=[O]7)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 22.117 Å |
| b | 22.117 Å |
| c | 24.215 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10258 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
4509927.cif |
| 104132 | 2014-03-10 | cif/ Adding structures of 4509926, 4509927, 4509928, 4509929, 4509930, 4509931 via cif-deposit CGI script. |
4509927.cif |
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Users of the data should acknowledge the original authors of the
structural data.