Information card for entry 7102203

Structure parameters

• Formula: C120 H281 N31 O91.5 Ru6 S24
• Calculated formula: C120 H144 N31 O91.5 Ru6 S24.0015
• 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: 28.043 ± 0.005 Å
• b: 28.463 ± 0.005 Å
• c: 37.746 ± 0.006 Å
• α: 81.553 ± 0.002°
• β: 70.715 ± 0.002°
• γ: 72.193 ± 0.002°
• Cell volume: 27040 ± 8 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2492
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.3486
• Weighted residual factors for all reflections included in the refinement: 0.4245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No