Information card for entry 7707168

Structure parameters

• Common name: Oz4b (Sreenath)
• Formula: C30 H37 Cl2 Cu2 N4 O16
• Calculated formula: C30 H37 Cl2 Cu2 N4 O16
• SMILES: [Cu]123([O]4[Cu]56([N]7CC(C[N]6=Cc6cc(cc(C=[N]3CC(C[N]2=Cc2cc(cc(C=7)c2[O]15)C(=O)O)(C)C)c46)C(=O)O)(C)C)[OH2])OCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.
• Authors of publication: Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6631 - 6636
• a: 11.982 ± 0.003 Å
• b: 16.944 ± 0.004 Å
• c: 19.081 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3873.9 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No