Information card for entry 7219625

Structure parameters

• Formula: C80 H74 Cd N8 O12
• Calculated formula: C80 H64 Cd N8 O12
• Title of publication: A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration
• Authors of publication: Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 2935
• a: 12.7832 ± 0.0001 Å
• b: 12.7832 ± 0.0001 Å
• c: 32.5345 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5316.47 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No