Information card for entry 7050619

Structure parameters

• Formula: C18 H18 Cu2 O11
• Calculated formula: C18 H18 Cu2 O11
• Title of publication: {[Cu(H2O)3][Cu(phmal)2]}n: a new two-dimensional copper(II) complex with intralayer ferromagnetic interactions (phmal=phenylmalonate dianion)
• Authors of publication: Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1557 - 1562
• a: 12.1329 ± 0.0009 Å
• b: 10.4929 ± 0.0009 Å
• c: 15.2841 ± 0.0017 Å
• α: 90°
• β: 98.315 ± 0.008°
• γ: 90°
• Cell volume: 1925.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No