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Information card for entry 4519030
Preview
| Coordinates | 4519030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H41 B Cl2 N4 O3 |
|---|---|
| Calculated formula | C47 H40.8 B Cl2 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 | 20.672 ± 0.004 Å |
| b | 8.5247 ± 0.0017 Å |
| c | 21.938 ± 0.004 Å |
| α | 90° |
| β | 97.66 ± 0.03° |
| γ | 90° |
| Cell volume | 3831.5 ± 1.3 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| 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 | 0.1029 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.2057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269457 (current) | 2021-10-03 | cif/ Adding structures of 4519030 via cif-deposit CGI script. |
4519030.cif |
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