Information card for entry 7113990

Structure parameters

• Formula: C63 H43.5 N4.5 O12 Zn3
• Calculated formula: C63 H43.53 N4.5 O12 Zn3
• Title of publication: Connection of zinc paddle-wheels in a pto-type metal-organic framework with 2-methylimidazolate and subsequent incorporation of charged organic guests
• Authors of publication: Nakeun Ko; Kyungkyou Noh; Siyoung Sung; Hye Jeong Park; Sang Youn Park; Jaheon Kim
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6785
• a: 26.7517 ± 0.0003 Å
• b: 26.7517 ± 0.0003 Å
• c: 26.7517 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19144.9 ± 0.4 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No