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Information card for entry 4347118
Preview
| Coordinates | 4347118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | PbI2dppn |
|---|---|
| Formula | C44 H24 I2 N8 Pb |
| Calculated formula | C44 H24 I2 N8 Pb |
| Title of publication | Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials. |
| Authors of publication | Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 7 |
| Pages of publication | 3393 - 3400 |
| a | 26.1924 ± 0.0004 Å |
| b | 12.5713 ± 0.0002 Å |
| c | 33.1849 ± 0.0005 Å |
| α | 90° |
| β | 91.8576 ± 0.0014° |
| γ | 90° |
| Cell volume | 10921.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232174 (current) | 2019-11-23 | cif/ Adding structures of 4347118 via cif-deposit CGI script. |
4347118.cif |
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Users of the data should acknowledge the original authors of the
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