Information card for entry 4310178

Structure parameters

• Formula: C88 H134 Cl2 Co2 N14 O22
• Calculated formula: C88 H134 Cl2 Co2 N14 O22
• Title of publication: Redox-Switchable Molecular Containers Consisting of Dicobalt Complexes
• Authors of publication: Hisashi Shimakoshi; Hiroki Takemoto; Isao Aritome; Yoshio Hisaeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9134 - 9136
• a: 16.5413 ± 0.0012 Å
• b: 16.6742 ± 0.0013 Å
• c: 18.2228 ± 0.0013 Å
• α: 90°
• β: 105.615 ± 0.002°
• γ: 90°
• Cell volume: 4840.6 ± 0.6 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: 0.0856
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No