Information card for entry 7025806

Structure parameters

• Formula: C20 H42 Cl2 Cu2 N8 O20
• Calculated formula: C20 H42 Cl2 Cu2 N8 O20
• SMILES: C12C(C)=[N]([Cu]3([O]=1)([OH]C)N(=C(C(=[O]3)NCCNC1C(C)=[N]([Cu]3(N(=C(C(=[O]3)NCCN2)C)=O)(O1)[OH]C)O)C)=O)O.CO.[O-]Cl(=O)(=O)=O.CO.[O-]Cl(=O)(=O)=O
• Title of publication: Dimeric versus polymeric coordination in copper(II) cationic complexes with bis(chelating) oxime and amide ligands.
• Authors of publication: Buvailo, Andrii I.; Gumienna-Kontecka, Elzbieta; Pavlova, Svetlana V.; Fritsky, Igor O.; Haukka, Matti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6266 - 6275
• a: 10.4897 ± 0.0006 Å
• b: 22.8077 ± 0.0011 Å
• c: 7.7354 ± 0.0003 Å
• α: 90°
• β: 99.518 ± 0.003°
• γ: 90°
• Cell volume: 1825.19 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No