Information card for entry 7046891

Structure parameters

• Formula: C89 H157 Cl2 N12 Ni8 O36.75
• Calculated formula: C89 H157 Cl2 N12 Ni8 O36.75
• Title of publication: Creating capsules with cubanes.
• Authors of publication: Kusumoto, Sotaro; Kobayashi, Fumiya; Ohtani, Ryo; Zhang, Yingjie; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9575 - 9578
• a: 15.9 ± 0.003 Å
• b: 17.23 ± 0.003 Å
• c: 21.83 ± 0.004 Å
• α: 91.79 ± 0.03°
• β: 92.92 ± 0.03°
• γ: 90.57 ± 0.03°
• Cell volume: 5969.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No