Information card for entry 7217921

Structure parameters

• Formula: C14 H10 Br Cu N O4
• Calculated formula: C14 H10 Br Cu N 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: 6.2413 ± 0.0002 Å
• b: 31.0345 ± 0.0007 Å
• c: 6.9777 ± 0.0002 Å
• α: 90°
• β: 93.573 ± 0.002°
• γ: 90°
• Cell volume: 1348.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7216202
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No