Information card for entry 7123863

Structure parameters

• Formula: C216 H192 Mo12 N24 O24
• Calculated formula: C216 H192 Mo12 N24 O24
• 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: 28.8973 ± 0.0009 Å
• b: 26.7784 ± 0.0008 Å
• c: 32.6584 ± 0.0011 Å
• α: 90°
• β: 93.339 ± 0.002°
• γ: 90°
• Cell volume: 25228.9 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.2741
• Weighted residual factors for all reflections included in the refinement: 0.3152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No