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Information card for entry 1573542
Preview
| Coordinates | 1573542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H44 N2 |
|---|---|
| Calculated formula | C86 H44 N2 |
| Title of publication | Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells |
| Authors of publication | Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, MInh Anh; Murdey, Richard; Wakamiya, Atsushi |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.8224 ± 0.0005 Å |
| b | 21.9763 ± 0.0006 Å |
| c | 28.7119 ± 0.0012 Å |
| α | 90° |
| β | 93.501 ± 0.003° |
| γ | 90° |
| Cell volume | 9965 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1709 |
| Residual factor for significantly intense reflections | 0.1094 |
| Weighted residual factors for significantly intense reflections | 0.2079 |
| Weighted residual factors for all reflections included in the refinement | 0.2343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296972 (current) | 2024-12-26 | cif/ Adding structures of 1573542 via cif-deposit CGI script. |
1573542.cif |
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Users of the data should acknowledge the original authors of the
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