Information card for entry 4002999

Structure parameters

• Common name: Cu-MaSOF
• Formula: C76 H70 Cu3 N6 O12 S6
• Calculated formula: C76 H70 Cu3 N6 O12 S6
• Title of publication: Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption
• Authors of publication: Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 6210
• a: 19.647 ± 0.004 Å
• b: 19.647 ± 0.004 Å
• c: 29.805 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9964 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No