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Information card for entry 4341582
Preview
| Coordinates | 4341582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H54 Fe6 Sn3 Te2 |
|---|---|
| Calculated formula | C60 H54 Fe6 Sn3 Te2 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Sn]1([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)[Sn]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)[Te][Sn]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)[Te]1 |
| Title of publication | Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties. |
| Authors of publication | You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141114120738008 |
| a | 12.569 ± 0.0004 Å |
| b | 12.86 ± 0.0004 Å |
| c | 17.993 ± 0.0006 Å |
| α | 105.683 ± 0.001° |
| β | 95.656 ± 0.001° |
| γ | 102.211 ± 0.001° |
| Cell volume | 2698.98 ± 0.15 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179518 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15. |
4341582.cif |
| 127356 | 2014-11-16 | cif/ Adding structures of 4341582 via cif-deposit CGI script. |
4341582.cif |
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Users of the data should acknowledge the original authors of the
structural data.