Information card for entry 7709807

Structure parameters

• Formula: C28 H40 B0.33 Cu F6.33 N4 Si2.83
• Calculated formula: C26 H32 B0.346667 Cu F6.05333 N4 Si2.83333
• 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: 22.8679 ± 0.0004 Å
• b: 22.8679 ± 0.0004 Å
• c: 22.8679 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11958.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.136
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No