Information card for entry 2210956

Structure parameters

• Chemical name: Dichloro-bis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Formula: C6 H12 Cl2 Cu N4 O4
• Calculated formula: C6 H12 Cl2 Cu N4 O4
• SMILES: NC1=[O][Cu]2(Cl)([O]=C(CC(N)=[O]2)N)([O]=C(C1)N)Cl
• Title of publication: Dichlorobis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Mikhail A. Ershov; Vikenty G. Skvortsov; Yulia Yu. Pilchikova; Olga V. Koltsova; Kyrill Yu. Suponitsky
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3076 - m3077
• a: 8.3177 ± 0.0006 Å
• b: 7.3586 ± 0.0005 Å
• c: 10.0195 ± 0.0007 Å
• α: 90°
• β: 108.101 ± 0.002°
• γ: 90°
• Cell volume: 582.91 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0188
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes