Information card for entry 4338427

Structure parameters

• Formula: C14 H20 Cl2 Cu2 N8 O12
• Calculated formula: C14 H14 Cl2 Cu2 N8 O12
• Title of publication: Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.
• Authors of publication: Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5759 - 5771
• a: 12.5983 ± 0.0009 Å
• b: 13.494 ± 0.0013 Å
• c: 15.2415 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No