Information card for entry 4002648

Structure parameters

• Formula: C35.75 H25.8 N3.28 O8 Zn2
• Calculated formula: C35.745 H25.796 N3.28233 O8 Zn2
• Title of publication: Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials
• Authors of publication: Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 368
• a: 32.8817 ± 0.0005 Å
• b: 32.8817 ± 0.0005 Å
• c: 40.272 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 37709 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No