Information card for entry 2205127

Structure parameters

• Formula: C40 H52 Cu2 N8 O12
• Calculated formula: C40 H52 Cu2 N8 O12
• SMILES: Nc1ccc(cc1)C1=[O][Cu]234([O]=C(O[Cu]4(O1)([O]=C(O2)c1ccc(N)cc1)([O]=C(O3)c1ccc(N)cc1)[O]=CN(C)C)c1ccc(N)cc1)[O]=CN(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: A dinuclear copper complex with a <i>p</i>-aminobenzoate anion
• Authors of publication: Jin Yang; Li Li; Jian-Fang Ma; Ying-Ying Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m237 - m239
• a: 12.513 ± 0.003 Å
• b: 15.918 ± 0.003 Å
• c: 12.122 ± 0.002 Å
• α: 90°
• β: 115.32 ± 0.03°
• γ: 90°
• Cell volume: 2182.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No