Information card for entry 7206482

Structure parameters

• Formula: C22 H24 Cu K N3 O4 S
• Calculated formula: C22 H24 Cu K N3 O4 S
• SMILES: COc1c2c(C=[N]3CC(C)(C[N]4[Cu]3(O2)Oc2c(cccc2C=4)OC)C)ccc1.[K+].N#C[S]
• Title of publication: Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands
• Authors of publication: Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5908
• a: 7.403 ± 0.0005 Å
• b: 16.486 ± 0.001 Å
• c: 18.0343 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2201 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0364
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No