Information card for entry 2217451

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(propane-1,3-diamine-κ^2^N,N')copper(II)]-μ-fumarato-κ^2^O:O'] monohydrate]
• Formula: C7 H16 Cu N2 O6
• Calculated formula: C7 H16 Cu N2 O6
• SMILES: [Cu]1([OH2])([NH2]CCC[NH2]1)OC(=O)/C=C/C(=O)O[Cu]1([OH2])([NH2]CCC[NH2]1)OC(=O)/C=C/C(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Padmanabhan, M.; Joseph, James C.; Olsson, Susanne; Bakir, Mohammed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m303 - m304
• a: 14.993 ± 0.003 Å
• b: 8.0948 ± 0.0017 Å
• c: 9.259 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1123.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes