Information card for entry 7102204

Structure parameters

• Formula: C178 H334.5 N37 O85.25 Ru6 S24
• Calculated formula: C178 H216 N37 O85.25 Ru6 S24
• Title of publication: Ru(ii)-cornered coordination cage that senses guest inclusion by color change.
• Authors of publication: Yamashita, Ken-Ichi; Kawano, Masaki; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4102 - 4103
• a: 37.576 ± 0.005 Å
• b: 44.413 ± 0.006 Å
• c: 35.8 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59747 ± 14 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No