Information card for entry 7223924

Structure parameters

• Formula: C62 H46 N14 O14 Zn2
• Calculated formula: C62 H46 N14 O14 Zn2
• 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: 30.8851 ± 0.0018 Å
• b: 17.4665 ± 0.001 Å
• c: 20.3272 ± 0.0014 Å
• α: 90°
• β: 127.705 ± 0.006°
• γ: 90°
• Cell volume: 8675.7 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.1326
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2973
• Weighted residual factors for all reflections included in the refinement: 0.3102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No