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Information card for entry 4126599
Preview
| Coordinates | 4126599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H198 Ge18 K2 N4 O12 Pd3 Si6 |
|---|---|
| Calculated formula | C90 H198 Ge18 K2 N4 O12 Pd3 Si6 |
| Title of publication | Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters. |
| Authors of publication | Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 16.1039 ± 0.0006 Å |
| b | 17.0961 ± 0.0006 Å |
| c | 27.6983 ± 0.001 Å |
| α | 95.184 ± 0.002° |
| β | 91.202 ± 0.003° |
| γ | 117.634 ± 0.002° |
| Cell volume | 6711.1 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.02 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202061 (current) | 2017-10-18 | cif/ Adding structures of 4126599 via cif-deposit CGI script. |
4126599.cif |
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