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Information card for entry 4509928
Preview
| Coordinates | 4509928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H96 O18 Ru6 Sn6 |
|---|---|
| Calculated formula | C108 H96 O18 Ru6 Sn6 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C1=[O][Sn]234([O]5[Sn]67(O1)([O]4[Sn]14([O]8[Sn]9%10%11([O]3[Sn]5([O]=C(O2)[c]23[cH]5[cH]%12[Ru]%13%14%15%16%1735([cH]2[cH]%12%17)[cH]2[cH]%15[cH]%16[cH]%13[cH]%142)([O]%10[Sn]8([O]=C([c]23[cH]5[cH]8[cH]%10[cH]2[Ru]2%11%12%13358%10[cH]3[cH]%13[cH]%12[cH]%11[cH]23)O%11)(OC(=[O]1)[c]12[cH]3[cH]5[cH]8[cH]1[Ru]1%10%11%122358[cH]2[cH]1[cH]%10[cH]%12[cH]%112)(Cc1ccccc1)[O]74)([O]=C(O9)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]17892345[cH]2[cH]1[cH]8[cH]7[cH]92)Cc1ccccc1)Cc1ccccc1)(OC(=[O]6)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 |
| 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 | 15.068 ± 0.005 Å |
| b | 15.086 ± 0.005 Å |
| c | 15.68 ± 0.005 Å |
| α | 69.769 ± 0.005° |
| β | 68.998 ± 0.005° |
| γ | 71.416 ± 0.005° |
| Cell volume | 3044.1 ± 1.7 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| 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. |
4509928.cif |
| 104132 | 2014-03-10 | cif/ Adding structures of 4509926, 4509927, 4509928, 4509929, 4509930, 4509931 via cif-deposit CGI script. |
4509928.cif |
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Users of the data should acknowledge the original authors of the
structural data.