Information card for entry 2242031

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]
• Formula: C14 H16 Cu2 O10
• Calculated formula: C14 H16 Cu2 O10
• SMILES: [Cu]1([OH2])([OH2])[O]=C2[O]1[Cu]1(Oc3c2cccc3)[O]2[Cu]3([O]=C2c2c(O1)cccc2)([OH2])([OH2])[O]=C1[O]3[Cu]2(Oc3c1cccc3)OC(=O)c1c(O2)cccc1.O.O.O.O
• Title of publication: Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]
• Authors of publication: van der Horn, Jitschaq A.; Lutz, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 235 - 238
• a: 19.5028 ± 0.0017 Å
• b: 5.0553 ± 0.0004 Å
• c: 15.7573 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes