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Information card for entry 7241669
Preview
| Coordinates | 7241669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97.12 H32.31 N2 O0.59 |
|---|---|
| Calculated formula | C97.124 H32.31 N2 O0.593 |
| Title of publication | An orifice design: water insertion into C60 |
| Authors of publication | Hashikawa, Yoshifumi; Kizaki, Kazuro; Hirose, Takashi; Murata, Yasujiro |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 66 |
| Pages of publication | 40406 - 40410 |
| a | 10.005 ± 0.004 Å |
| b | 12.857 ± 0.005 Å |
| c | 22.495 ± 0.009 Å |
| α | 98.332 ± 0.005° |
| β | 97.908 ± 0.005° |
| γ | 104.389 ± 0.006° |
| Cell volume | 2727.4 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259584 (current) | 2020-12-06 | cif/ Adding structures of 7241669 via cif-deposit CGI script. |
7241669.cif |
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Users of the data should acknowledge the original authors of the
structural data.