Information card for entry 7123864

Structure parameters

• Formula: C332 H276 Cu24 N48 O68
• Calculated formula: C332 H276 Cu24 N48 O68
• Title of publication: Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages
• Authors of publication: Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 31.1697 ± 0.0013 Å
• b: 31.1697 ± 0.0013 Å
• c: 24.8716 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24164 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2753
• Weighted residual factors for all reflections included in the refinement: 0.3158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No