Information card for entry 4322312

Structure parameters

• Formula: C28 H22 Cu2 N6 O9 S2
• Calculated formula: C28 H16 Cu2 N6 O9 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: 9.3243 ± 0.0004 Å
• b: 10.9036 ± 0.0005 Å
• c: 15.5432 ± 0.0004 Å
• α: 90.276 ± 0.002°
• β: 100.009 ± 0.002°
• γ: 94.139 ± 0.002°
• Cell volume: 1551.9 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1062
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections: 0.1854
• Weighted residual factors for significantly intense reflections: 0.1612
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No