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Information card for entry 2107267
Preview
| Coordinates | 2107267.cif |
|---|---|
| Structure factors | 2107267.hkl |
| Original IUCr paper | HTML |
| Common name | 4-chlorobenzylammonium lead iodide |
|---|---|
| Formula | C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 |
| Calculated formula | C5.6 H7.2 Cl0.8 I1.6 N0.8 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 | 8.5992 ± 0.0003 Å |
| b | 8.9125 ± 0.0003 Å |
| c | 15.8039 ± 0.0006 Å |
| α | 90° |
| β | 95.502 ± 0.003° |
| γ | 90° |
| Cell volume | 1205.64 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| 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. |
2107267.cif 2107267.hkl |
| 170697 | 2015-12-04 | cif/ hkl/ Adding structures of 2107267, 2107268, 2107269, 2107270, 2107271, 2107272, 2107273 via cif-deposit CGI script. |
2107267.cif 2107267.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.