Information card for entry 2228510

Structure parameters

• Chemical name: Bis[2-(methylamino)troponato]copper(II)
• Formula: C16 H16 Cu N2 O2
• Calculated formula: C16 H16 Cu N2 O2
• SMILES: C12C(C=CC=CC=1)=[N]([Cu]1([N](=C3C(=CC=CC=C3)O1)C)O2)C
• Title of publication: Bis[2-(methylamino)troponato]copper(II)
• Authors of publication: Steyl, Gideon; Muller, Theunis J.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1508
• a: 6.7541 ± 0.0009 Å
• b: 9.1599 ± 0.0012 Å
• c: 22.084 ± 0.003 Å
• α: 90°
• β: 92.108 ± 0.005°
• γ: 90°
• Cell volume: 1365.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes