Information card for entry 4341422

Structure parameters

• Common name: D-453
• Formula: C35 H35 Cu4 N2.5 O22.5
• Calculated formula: C35 H20 Cu4 N2 O21
• Title of publication: Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams
• Authors of publication: Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141031102220000
• a: 12.5085 ± 0.0001 Å
• b: 12.5085 ± 0.0001 Å
• c: 70.2284 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10988.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No