Information card for entry 4502691

Structure parameters

• Common name: [fmobnlH]2[Cu(II)(mal)2(H2O)2]
• Chemical name: [fmobnlH]2[Cu(II)(mal)2(H2O)2]
• Formula: C22 H24 Cu F6 N2 O11
• Calculated formula: C22 H24 Cu F6 N2 O11
• 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: 11.8944 ± 0.0011 Å
• b: 8.3348 ± 0.0006 Å
• c: 27.462 ± 0.003 Å
• α: 90°
• β: 92.964 ± 0.013°
• γ: 90°
• Cell volume: 2718.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.159
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.3001
• Weighted residual factors for all reflections included in the refinement: 0.3315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No