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Information card for entry 4336670
Preview
| Coordinates | 4336670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H102 Cl10 Fe4 N8 S10 Sn6 |
|---|---|
| Calculated formula | C77 H102 Cl10 Fe4 N8 S10 Sn6 |
| SMILES | C1(C)(C)CC(=[N](/N=C(\C)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)[Sn]231S[Sn]1(C(C)(C)CC(C)=[N]1/N=C(/C)[c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[cH]4[cH]%10[cH]9[cH]8[cH]14)(S[Sn]1(S[Sn]45([S]6[Sn]7(C(C)(C)CC(C)=[N]7/N=C(C)/[c]78[cH]9[cH]%10[cH]%11[cH]7[Fe]7%12%13%1489%10%11[cH]8[cH]7[cH]%12[cH]%13[cH]%148)(S[Sn]76(C(C)(C)CC(C)=[N]7/N=C(C)/[c]67[cH]8[cH]9[cH]%10[cH]6[Fe]6%11%12%13789%10[cH]7[cH]6[cH]%11[cH]%12[cH]%137)S5)S4)S1)S2)S3)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation |
| Authors of publication | Zhiliang You; Stefanie Dehnen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 12332 - 12334 |
| a | 10.925 ± 0.002 Å |
| b | 21.491 ± 0.004 Å |
| c | 21.736 ± 0.004 Å |
| α | 91.95 ± 0.03° |
| β | 99.8 ± 0.03° |
| γ | 96.02 ± 0.03° |
| Cell volume | 4994.2 ± 1.7 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179469 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66. |
4336670.cif |
| 102677 | 2014-02-21 | cif/ Adding structures of 4336670 via cif-deposit CGI script. |
4336670.cif |
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Users of the data should acknowledge the original authors of the
structural data.