Information card for entry 7046893

Structure parameters

• Formula: C78 H132 B F4 N12 Ni8 O26
• Calculated formula: C78 H132 B F4 N12 Ni8 O26
• 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: 21.433 ± 0.004 Å
• b: 22.146 ± 0.004 Å
• c: 35.041 ± 0.007 Å
• α: 90°
• β: 103.89 ± 0.03°
• γ: 90°
• Cell volume: 16146 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2613
• Weighted residual factors for all reflections included in the refinement: 0.3296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No