Information card for entry 4338429

Structure parameters

• Formula: C23 H30 Cl2 Cu2 N10 O9
• Calculated formula: C23 H30 Cl2 Cu2 N10 O9
• 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: 18.4099 ± 0.0017 Å
• b: 15.6527 ± 0.0014 Å
• c: 22.408 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6457.2 ± 1 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No