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CIF Information Card
Information card for 7206031
7206030 << 7206031 >> 7206032Preview
|
Coordinates |
7206031.cif |
Structure parameters
| Formula | - C96 H216 Mo24 N6 O79 S2 - |
| Calculated formula | - C96 H216 Mo24 N6 O79 S2 - |
| Title of publication | Exploring the thermochromism of sulfite-embedded polyoxometalate capsules. |
| Authors of publication | Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 16 |
| Pages of publication | 7295 - 7297 |
| a | 22.0259 ± 0.0002 Å |
| b | 29.9732 ± 0.0002 Å |
| c | 23.9492 ± 0.0002 Å |
| α | 90° |
| β | 90.628 ± 0.001° |
| γ | 90° |
| Cell volume | 15810 ± 0.2 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/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0296 |
| Residual factor for observed reflections | 0.0206 |
| Weighted residual factors for the observed reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0487 |
| Goodness-of-fit parameter for observed reflections | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |