Information card for entry 7119099

Structure parameters

• Formula: C384 H288 Cu4.8 N288 Zn43.2
• Calculated formula: C384 H288 Cu4.8 N288 Zn43.2
• Title of publication: Exceptionally water stable heterometallic gyroidal MOFs: tuning the porosity and hydrophobicity by doping metal ions
• Authors of publication: Xiao-Wei Zhu; Xiao-Ping Zhou; Dan Li
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6513
• a: 34.4885 ± 0.0002 Å
• b: 34.4885 ± 0.0002 Å
• c: 34.4885 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41022.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No