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Information card for entry 2107273
Preview
| Coordinates | 2107273.cif |
|---|---|
| Structure factors | 2107273.hkl |
| Original paper (by DOI) | HTML |
| Common name | piperazinium lead iodide |
|---|---|
| Formula | C3.2 H9.6 I2.4 N1.6 Pb0.4 |
| Calculated formula | C3.2 H9.6 I2.4 N1.6 Pb0.4 |
| Title of publication | Structural diversity in hybrid organic‒inorganic lead iodide materials |
| Authors of publication | Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 668 - 678 |
| a | 9.8058 ± 0.0003 Å |
| b | 9.2603 ± 0.0003 Å |
| c | 12.4081 ± 0.0004 Å |
| α | 90° |
| β | 93.553 ± 0.003° |
| γ | 90° |
| Cell volume | 1124.55 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181883 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/72. |
2107273.cif 2107273.hkl |
| 170697 | 2015-12-04 | cif/ hkl/ Adding structures of 2107267, 2107268, 2107269, 2107270, 2107271, 2107272, 2107273 via cif-deposit CGI script. |
2107273.cif 2107273.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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License
.
Users of the data should acknowledge the original authors of the
structural data.