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Information card for entry 7709966
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| Coordinates | 7709966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C5H14N2Pb0.5I3 |
|---|---|
| Formula | C10 H28 I6 N4 Pb |
| Calculated formula | C10 H28 I6 N4 Pb |
| Title of publication | Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation |
| Authors of publication | Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 14.6421 ± 0.0005 Å |
| b | 10.2354 ± 0.0003 Å |
| c | 8.7575 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1312.47 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274458 (current) | 2022-04-12 | cif/ Adding structures of 7709965, 7709966, 7709967 via cif-deposit CGI script. |
7709966.cif |
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Users of the data should acknowledge the original authors of the
structural data.