Information card for entry 7025811

Structure parameters

• Formula: C28 H58 Cl2 Cu2 N8 O20
• Calculated formula: C28 H58 Cl2 Cu2 N8 O20
• SMILES: C1(C2=[O][Cu]3([N]=1O)(N(=C(C)C(=[O]3)NCCCCCCNC1C(C)=[N]([Cu]3(N(=C(C)C(=[O]3)NCCCCCCN2)=O)(O1)[OH]C)O)=O)[OH]C)C.[O-]Cl(=O)(=O)=O.CO.[O-]Cl(=O)(=O)=O.CO
• 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: 7.9391 ± 0.0006 Å
• b: 11.16 ± 0.0005 Å
• c: 13.969 ± 0.001 Å
• α: 104.862 ± 0.005°
• β: 100.172 ± 0.006°
• γ: 104.269 ± 0.005°
• Cell volume: 1120.71 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No