Information card for entry 7217917

Structure parameters

• Formula: C13 H10 Cu N2 O4
• Calculated formula: C13 H10 Cu N2 O4
• Title of publication: Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes
• Authors of publication: Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 8106
• a: 7.019 ± 0.003 Å
• b: 28.604 ± 0.003 Å
• c: 5.964 ± 0.003 Å
• α: 90°
• β: 91.808 ± 0.008°
• γ: 90°
• Cell volume: 1196.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216198
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No