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Information card for entry 7247631
Preview
| Coordinates | 7247631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 Br3 P Pb |
|---|---|
| Calculated formula | C19 H18 Br3 P Pb |
| Title of publication | Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations |
| Authors of publication | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 47 |
| Pages of publication | 6556 - 6567 |
| a | 22.601 ± 0.002 Å |
| b | 7.8074 ± 0.0007 Å |
| c | 24.284 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4285 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1174 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1525 |
| Weighted residual factors for all reflections included in the refinement | 0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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 |
|---|---|---|---|
| 288789 (current) | 2024-01-06 | cif/ Updating files of 7247629, 7247630, 7247631, 7247632, 7247633, 7247634 Original log message: Adding full bibliography for 7247629--7247634.cif. |
7247631.cif |
| 287228 | 2023-11-02 | cif/ Adding structures of 7247629, 7247630, 7247631, 7247632, 7247633, 7247634 via cif-deposit CGI script. |
7247631.cif |
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Users of the data should acknowledge the original authors of the
structural data.