Information card for entry 7223925

Structure parameters

• Formula: C31 H21 N7 O6 Zn
• Calculated formula: C31 H21 N7 O6 Zn
• Title of publication: Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features
• Authors of publication: Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1693
• a: 10.882 ± 0.003 Å
• b: 11.386 ± 0.003 Å
• c: 20.627 ± 0.005 Å
• α: 100.75 ± 0.02°
• β: 103.307 ± 0.016°
• γ: 103.024 ± 0.018°
• Cell volume: 2345.3 ± 1.1 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 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: 0.1348
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No