Information card for entry 4515229

Structure parameters

• Common name: catena-{[Cu2(amp)4Cl][Fe(ox)3].6H2O
• Formula: C30 H40 Cl Cu2 Fe N8 O18
• Calculated formula: C30 H40 Cl Cu2 Fe N8 O18
• SMILES: c1cccc2C[NH2][Cu]3([Cl][Cu]45([NH2]Cc6cccc[n]46)[NH2]Cc4[n]5cccc4)([n]12)[NH2]Cc1[n]3cccc1.[Fe]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)OC(=O)C(=O)O2.O.O.O.O.O.O
• Title of publication: Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control
• Authors of publication: Tsobnang, Patrice Kenfack; Hastürk, Emrah; Fröhlich, Dominik; Wenger, Emmanuel; Durand, Pierrick; Ngolui, John Lambi; Lecomte, Claude; Janiak, Christoph
• Journal of publication: Crystal Growth & Design
• Year of publication: 2019
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 2869
• a: 17.625 ± 0.0007 Å
• b: 18.391 ± 0.0007 Å
• c: 13.878 ± 0.0006 Å
• α: 90°
• β: 114.032 ± 0.002°
• γ: 90°
• Cell volume: 4108.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No