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Information card for entry 7037432
Preview
| Coordinates | 7037432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 Cu4 Fe4 I4 N2 Te4 |
|---|---|
| Calculated formula | C44 H42 Cu4 Fe4 I4 N2 Te4 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Te]1[Cu]234[I][Cu]54([N]#CC)[I]3[Cu]34([I][Cu]4([N]#CC)([I]23)[Te]1[c]12[cH]3[cH]4[cH]6[cH]1[Fe]17892346[cH]2[cH]1[cH]7[cH]8[cH]92)[Te]([c]12[cH]3[cH]4[cH]6[cH]1[Fe]17892346[cH]2[cH]1[cH]7[cH]8[cH]92)[Te]5[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82 |
| Title of publication | Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands: donors, halides and semi-rigidity effects on the geometry and catalytic activity. |
| Authors of publication | Ji, Wei; Qu, Jian; Jing, Su; Zhu, Dunru; Huang, Wei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 3 |
| Pages of publication | 1016 - 1024 |
| a | 13.456 ± 0.003 Å |
| b | 11.633 ± 0.002 Å |
| c | 17.822 ± 0.003 Å |
| α | 90° |
| β | 95.547 ± 0.002° |
| γ | 90° |
| Cell volume | 2776.7 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176058 (current) | 2016-02-05 | cif/ Updating files of 7037430, 7037431, 7037432, 7037433, 7037434, 7037435, 7037436, 7037437 Original log message: Adding full bibliography for 7037430--7037437.cif. |
7037432.cif |
| 170507 | 2015-11-24 | cif/ Adding structures of 7037430, 7037431, 7037432, 7037433, 7037434, 7037435, 7037436, 7037437 via cif-deposit CGI script. |
7037432.cif |
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Users of the data should acknowledge the original authors of the
structural data.