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Information card for entry 4135121
Preview
| Coordinates | 4135121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H172 Cu4 K4 N12 O28 Pb18 |
|---|---|
| Calculated formula | C83.42 H170.84 Cu4 K4 N12 O28 Pb18 |
| Title of publication | [Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene. |
| Authors of publication | Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 15.7192 ± 0.0004 Å |
| b | 15.9825 ± 0.0004 Å |
| c | 16.7031 ± 0.0003 Å |
| α | 107.799 ± 0.002° |
| β | 96.824 ± 0.002° |
| γ | 112.746 ± 0.002° |
| Cell volume | 3547.99 ± 0.17 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.056 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254625 (current) | 2020-07-29 | cif/ Adding structures of 4135121 via cif-deposit CGI script. |
4135121.cif |
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