Information card for entry 7206031

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 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No