Information card for entry 7709805

Structure parameters

• Formula: C168 H240 Cl2 Cu6 F30 N24 O20 Si17
• Calculated formula: C156 H192 Cl2 Cu6 F30.0004 N24 O8 Si17
• Title of publication: Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation
• Authors of publication: Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 22.901 ± 0.003 Å
• b: 22.901 ± 0.003 Å
• c: 22.901 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12011 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 195
• Hermann-Mauguin space group symbol: P 2 3
• Hall space group symbol: P 2 2 3
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.76 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No