Information card for entry 7712503

Structure parameters

• Formula: C120 H256 Cu2 F12 N4 O119 P2
• Calculated formula: C120 H186 Cu2 F12 N4 O119 P2
• Title of publication: Structure and modified property of an inclusion complex of self-dimerised Cu(II) complex in γ-cyclodextrines
• Authors of publication: Hamaguchi, Tomohiko; Ishikawa, Ryuta; Mishima, Akio; Hayami, Shinya; Ohba, Masaaki; Satoh, Minoru; Kawata, Satoshi
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 18.1464 ± 0.0004 Å
• b: 28.9479 ± 0.0007 Å
• c: 16.427 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8629.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No