Information card for entry 2013605

Structure parameters

• Chemical name: catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]
• Formula: C11 H9 Cu K N2 O3 S
• Calculated formula: C11 H9 Cu K N2 O3 S
• SMILES: [Cu]12(Oc3c(C=[N]2CCC(=O)O1)cccc3)N=C=S.[K+]
• Title of publication: <i>catena</i>-Poly[potassium [copper(II)-μ-isothiocyanato-μ-<i>N</i>-salicylidene-β-alaninato(2‒)]]
• Authors of publication: Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m509 - m511
• a: 12.5103 ± 0.0007 Å
• b: 8.4276 ± 0.0006 Å
• c: 24.401 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2572.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes