Information card for entry 7223362

Structure parameters

• Formula: C42 H44 Cl2 Cu2 N10 O8
• Calculated formula: C42 H44 Cl2 Cu2 N10 O8
• Title of publication: Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes
• Authors of publication: Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 437
• a: 13.841 ± 0.0013 Å
• b: 8.0261 ± 0.0008 Å
• c: 39.946 ± 0.003 Å
• α: 90°
• β: 96.565 ± 0.004°
• γ: 90°
• Cell volume: 4408.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1523
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No