Information card for entry 4347239

Structure parameters

• Formula: C28 H26 Cu2 N6 O8
• Calculated formula: C28 H26 Cu2 N6 O8
• Title of publication: Paddle Wheel Based Triazolyl Isophthalate MOFs: Impact of Linker Modification on Crystal Structure and Gas Sorption Properties.
• Authors of publication: Kobalz, Merten; Lincke, Jörg; Kobalz, Karolin; Erhart, Oliver; Bergmann, Jens; Lässig, Daniel; Lange, Marcus; Möllmer, Jens; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3030 - 3039
• a: 13.3344 ± 0.0015 Å
• b: 13.6545 ± 0.0014 Å
• c: 20.0416 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3649.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No