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Information card for entry 7219056
Preview
| Coordinates | 7219056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N1,N1'-(buta-1,3-diyne-1,4-diylbis(4,1-phenylene))bis (N1-(4-(dimethylamino)phenyl)-N4,N4-dimethylbenzene-1,4-diamine) |
|---|---|
| Formula | C48 H48 N6 |
| Calculated formula | C48 H48 N6 |
| SMILES | N(c1ccc(cc1)C#CC#Cc1ccc(N(c2ccc(N(C)C)cc2)c2ccc(cc2)N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 |
| Title of publication | Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells. |
| Authors of publication | Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 2335 - 2338 |
| a | 9.85327 ± 0.00019 Å |
| b | 11.5888 ± 0.0003 Å |
| c | 34.7326 ± 0.0007 Å |
| α | 90° |
| β | 95.691 ± 0.002° |
| γ | 90° |
| Cell volume | 3946.48 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180521 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90. |
7219056.cif |
| 131133 | 2015-02-04 | cif/ Updating files of 7219056 Original log message: Adding full bibliography for 7219056.cif. |
7219056.cif |
| 128544 | 2014-12-12 | cif/ Adding structures of 7219056 via cif-deposit CGI script. |
7219056.cif |
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