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CIF Information Card
Information card for 7101802
7101801 << 7101802 >> 7101803Preview
|
Coordinates |
7101802.cif |
Structure parameters
| Formula | - C83 H14 N2 O2 S6 Se - |
| Calculated formula | - C83 H14 N2 O2 S6 Se - |
| Title of publication | Fine tuning of the orifice size of an open-cage fullerene by placing selenium in the rim: insertion/release of molecular hydrogen. |
| Authors of publication | Chuang, Shih-Ching; Murata, Yasujiro; Murata, Michihisa; Mori, Sadayuki; Maeda, Shuhei; Tanabe, Fumiyuki; Komatsu, Koichi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 12 |
| Pages of publication | 1278 - 1280 |
| a | 9.9575 ± 0.0007 Å |
| b | 51.425 ± 0.004 Å |
| c | 10.1013 ± 0.0007 Å |
| α | 90° |
| β | 99.766 ± 0.001° |
| γ | 90° |
| Cell volume | 5097.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0888 |
| Residual factor for observed reflections | 0.0509 |
| Weighted residual factors for the observed reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for observed reflections | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |