Information card for entry 4507229

Structure parameters

• Formula: C42 H34 Cu2 N4 O10
• Calculated formula: C42 H34 Cu2 N4 O10
• 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: 27.597 ± 0.004 Å
• b: 27.597 ± 0.004 Å
• c: 21.871 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14425 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No