Information card for entry 7123232

Structure parameters

• Formula: C62 H33 Co F3 N12 O8 Ru
• Calculated formula: C60 H33 Co N12 O6 Ru
• Title of publication: Light-harvesting, 3rd generation MOF with large, tubular channel aperture
• Authors of publication: Schmitt, Wolfgang; Martins, Luana; Macreadie, Lauren; Sensharma, Debobroto; Vaesen, Sebastien; Zhang, Xia; Gough, John; O'Doherty, Mariah; Zhu, Nianyong; Ruether, Manuel; O'Brien, John E; Bradley, A. Louise
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 26.645 ± 0.004 Å
• b: 26.645 ± 0.004 Å
• c: 10.542 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6481.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.237
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No