Information card for entry 7213826

Structure parameters

• Formula: C22 H21 N3 O9 Zn1.5
• Calculated formula: C22 H21 N3 O9 Zn1.5
• Title of publication: Unprecedented metal-ion metathesis in a metal‒carboxylate chain-based metal‒organic framework
• Authors of publication: Niu, Yan-Fei; Zhao, Wen; Han, Jie; GeTian,; Zhao, Xiao-Li
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 2344
• a: 8.4358 ± 0.0018 Å
• b: 10.074 ± 0.002 Å
• c: 15.079 ± 0.003 Å
• α: 71.071 ± 0.005°
• β: 87.931 ± 0.006°
• γ: 67.631 ± 0.006°
• Cell volume: 1115.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No