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Information card for entry 2107270
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| Coordinates | 2107270.cif |
|---|---|
| Structure factors | 2107270.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1,2-Bis(4-pyridyl)ethane lead iodide |
|---|---|
| Formula | C18 H26 I6 N4 O2 Pb2 |
| Calculated formula | C18 H26 I6 N4 O2 Pb2 |
| SMILES | [Pb]12([I][Pb]([I]1)[I]2)(I)(I)I.O=CN(C)C.O=CN(C)C.[nH+]1ccc(CCc2cc[nH+]cc2)cc1 |
| 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 | 11.8465 ± 0.0004 Å |
| b | 17.6887 ± 0.0006 Å |
| c | 8.1762 ± 0.0003 Å |
| α | 90° |
| β | 98.798 ± 0.003° |
| γ | 90° |
| Cell volume | 1693.16 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199861 (current) | 2017-08-21 | cif/2 Fixing a couple of Z values |
2107270.cif 2107270.hkl |
| 181883 | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/72. |
2107270.cif 2107270.hkl |
| 170697 | 2015-12-04 | cif/ hkl/ Adding structures of 2107267, 2107268, 2107269, 2107270, 2107271, 2107272, 2107273 via cif-deposit CGI script. |
2107270.cif 2107270.hkl |
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Users of the data should acknowledge the original authors of the
structural data.