Information card for entry 4502688

Structure parameters

• Common name: [4-mbnlH]2[Cu(II)(mal)2(H2O)2]
• Chemical name: [4-mbnlH]2[Cu(II)(mal)2(H2O)2]
• Formula: C22 H32 Cu N2 O10
• Calculated formula: C22 H32 Cu N2 O10
• Title of publication: Crystal Engineering of a Series of Arylammonium Copper(II) Malonates
• Authors of publication: Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1854
• a: 8.4479 ± 0.0007 Å
• b: 11.675 ± 0.001 Å
• c: 13.1173 ± 0.0011 Å
• α: 88.503 ± 0.01°
• β: 72.584 ± 0.009°
• γ: 88.84 ± 0.01°
• Cell volume: 1233.91 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No