Information card for entry 4324624

Structure parameters

• Formula: C35 H32 Cu2 N8 O14 S3
• Calculated formula: C35 H32 Cu2 N8 O14 S3
• Title of publication: Reversible Shuttle Action upon Dehydration and Rehydration Processes in Cationic Coordinatively-Bonded (4,4) Square-Grid Nets Threaded by Supramolecular Bonded Anions, {[CuII(4,4'-bpy)2(H2O)][CuII(2-pySO3)3](NO3)}.H2O
• Authors of publication: Yi-Min Jiang; Zheng Yin; Kun-Huan He; Ming-Hua Zeng; Mohamedally Kurmoo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2329 - 2333
• a: 14.8167 ± 0.0014 Å
• b: 15.4781 ± 0.0014 Å
• c: 17.7192 ± 0.0016 Å
• α: 90°
• β: 99.877 ± 0.001°
• γ: 90°
• Cell volume: 4003.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No