Information card for entry 2209133

Structure parameters

• Chemical name: catena-Poly[[[tetraaquacopper(II)]-μ-sulfato-κ^2^O:O'- [bis(malonamide-κ^2^O,O')copper(II)]-μ-sulfato-κ^2^O:O'] dihydrate]
• Formula: C6 H24 Cu2 N4 O18 S2
• Calculated formula: C6 H24 Cu2 N4 O18 S2
• SMILES: [Cu]12([O]=C(N)CC(=[O]1)N)([O]=C(N)CC(=[O]2)N)(OS(=O)(=O)O[Cu]([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)[O-])OS(=O)(=O)O[Cu]([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)O[Cu]12([O]=C(N)CC(=[O]1)N)[O]=C(N)CC(=[O]2)N.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquacopper(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(malonamide-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
• Authors of publication: Mikhail A. Ershov; Vikenty G. Skvortsov; Yulia Yu. Pilchikova; Kyrill Yu. Suponitsky
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1181 - m1182
• a: 6.7953 ± 0.001 Å
• b: 7.1236 ± 0.0011 Å
• c: 12.2249 ± 0.0019 Å
• α: 78.692 ± 0.003°
• β: 77.817 ± 0.003°
• γ: 64.214 ± 0.002°
• Cell volume: 517.18 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes