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Information card for entry 4509929
Preview
| Coordinates | 4509929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H108 O10 Ru4 Sn4 |
|---|---|
| Calculated formula | C76 H108 O10 Ru4 Sn4 |
| SMILES | [cH]12[c]3([cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]7[cH]8[cH]6[cH]12)C1=[O][Sn]2([O]([Sn]([O]1)(OC(=O)[c]13[cH]4[Ru]56789%103([cH]1[cH]5[cH]46)[cH]1[cH]%10[cH]9[cH]8[cH]71)(CCCC)CCCC)[Sn]1(OC(=[O][Sn](OC(=O)[c]34[cH]5[cH]6[cH]7[cH]3[Ru]389%104567[cH]4[cH]%10[cH]9[cH]8[cH]34)([O]21)(CCCC)CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(CCCC)CCCC)(CCCC)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 | 12.481 ± 0.005 Å |
| b | 13.445 ± 0.005 Å |
| c | 13.744 ± 0.005 Å |
| α | 61.104 ± 0.005° |
| β | 72.618 ± 0.005° |
| γ | 84.29 ± 0.005° |
| Cell volume | 1924.2 ± 1.3 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4509929.cif |
| 104132 | 2014-03-10 | cif/ Adding structures of 4509926, 4509927, 4509928, 4509929, 4509930, 4509931 via cif-deposit CGI script. |
4509929.cif |
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Users of the data should acknowledge the original authors of the
structural data.