Information card for entry 4507228

Structure parameters

• Formula: C105 H95 N10 O20 Zn4
• Calculated formula: C105 H95 N10 O20 Zn4
• Title of publication: Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker
• Authors of publication: Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 198
• a: 12.036 ± 0.002 Å
• b: 16.838 ± 0.003 Å
• c: 40.383 ± 0.008 Å
• α: 90°
• β: 90.46 ± 0.03°
• γ: 90°
• Cell volume: 8184 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No