Information card for entry 4135124

Structure parameters

• Formula: C454 H486 Cu16 N34 O128
• Calculated formula: C454 H494 Cu16 N34 O128
• Title of publication: A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.
• Authors of publication: Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 24.473 ± 0.0006 Å
• b: 27.0553 ± 0.0004 Å
• c: 20.237 ± 0.0005 Å
• α: 90°
• β: 113.928 ± 0.003°
• γ: 90°
• Cell volume: 12247.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No