Information card for entry 4002645

Structure parameters

• Formula: C60 H43 N6 O14 Zn3
• Calculated formula: C60 H43 N6 O14 Zn3
• 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: 13.6287 ± 0.0005 Å
• b: 13.9657 ± 0.0004 Å
• c: 26.6535 ± 0.0019 Å
• α: 85.319 ± 0.006°
• β: 89.286 ± 0.006°
• γ: 86.172 ± 0.006°
• Cell volume: 5044.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No