Information card for entry 4322313

Structure parameters

• Formula: C28 H20 Cu2 N6 O8 S2
• Calculated formula: C28 H16 Cu2 N6 O7.98 S2
• Title of publication: Ferro- and Antiferromagnetic Coupling through 1,n-Dithiosquarate Bridges (n= 2, 3) in Copper(II) Dimers. Syntheses, Crystal Structures, and Magnetic Properties of [Cu2(bpca)2(1,2-dtsq)(H2O)].2H2O and [Cu2(bpca)2(1,3-dtsq)].2H2O
• Authors of publication: Isabel Castro; María Luisa Calatayud; Jorunn Sletten; Francesc Lloret; Juan Cano; Miguel Julve; Gunther Seitz; Klaus Mann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4680 - 4687
• a: 7.656 ± 0.002 Å
• b: 9.351 ± 0.003 Å
• c: 11.587 ± 0.002 Å
• α: 109.02 ± 0.02°
• β: 97.4 ± 0.02°
• γ: 110.27 ± 0.02°
• Cell volume: 707.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No