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Information card for entry 1552020
Preview
| Coordinates | 1552020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114.93 H54.85 Cl1.84 N4 Ni O0.96 |
|---|---|
| Calculated formula | C114.94 H54.88 Cl1.836 N4 Ni O0.97 |
| Title of publication | Synthesis of a distinct water dimer inside fullerene C70 |
| Authors of publication | Rui Zhang; Michihisa Murata; Tomoko Aharen; Atsushi Wakamiya; Takafumi Shimoaka,; Takeshi Hasegawa; Yasujiro Murata |
| Journal of publication | Nature Chemistry |
| Year of publication | 2016 |
| Journal volume | 8 |
| Pages of publication | 435 - 441 |
| a | 14.393 ± 0.0011 Å |
| b | 14.6571 ± 0.0011 Å |
| c | 18.8797 ± 0.0014 Å |
| α | 87.4893 ± 0.0009° |
| β | 86.8843 ± 0.0009° |
| γ | 60.8258 ± 0.0008° |
| Cell volume | 3471.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216829 (current) | 2019-07-08 | cif/ Adding structures of 1552020 via cif-deposit CGI script. |
1552020.cif |
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Users of the data should acknowledge the original authors of the
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