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Information card for entry 4519031
Preview
| Coordinates | 4519031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H67 B N4 O3 |
|---|---|
| Calculated formula | C60 H67 B N4 O3 |
| Title of publication | Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells |
| Authors of publication | Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2021 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | 9090 - 9098 |
| a | 19.5388 ± 0.0003 Å |
| b | 12.9417 ± 0.0002 Å |
| c | 39.3208 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9942.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.183 |
| Weighted residual factors for all reflections included in the refinement | 0.1857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269458 (current) | 2021-10-03 | cif/ Adding structures of 4519031 via cif-deposit CGI script. |
4519031.cif |
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Users of the data should acknowledge the original authors of the
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