Information card for entry 2009285

Structure parameters

• Chemical name: di-μ-croconato-bis{μ-[N,N'-bis(3-amino-2,2-dimethylpropyl)oxamidato(2-) -N,O':N',O]-dicopper(II)} tetrahydrate
• Formula: C34 H56 Cu4 N8 O18
• Calculated formula: C34 H56 Cu4 N8 O18
• SMILES: C12C3=[N]4[Cu]5([NH2]CC(C4)(C)C)(O2)[O]=C2C(=O)C(=O)C(O[Cu]46[N](=C7C(=[N]8[Cu]9([O]=C%10C(=O)C(=O)C(O[Cu]%11([N]=1CC(C[NH2]%11)(C)C)O3)=C%10O9)([NH2]CC(C8)(C)C)O7)O6)CC(C[NH2]4)(C)C)=C2O5.O.O.O.O
• Title of publication: A tetracopper(II) complex containing two μ-oxamidato-dicopper(II) units linked by croconate anions
• Authors of publication: Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio Costantino
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2043 - 2045
• a: 9.496 ± 0.001 Å
• b: 10.662 ± 0.0008 Å
• c: 12.966 ± 0.002 Å
• α: 71.481 ± 0.008°
• β: 75.78 ± 0.01°
• γ: 66.16 ± 0.01°
• Cell volume: 1128.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No