Information card for entry 7003466

Structure parameters

• Formula: C8 H11 Cu N3 O3 S2
• Calculated formula: C8 H11 Cu N3 O3 S2
• Title of publication: Low-dimensional copper(ii) complexes triply bridged with azide/carboxylate/DMSO showing very strong ferromagnetic interaction and influence of dipolar fields at low temperatures: a quantum Monte Carlo magnetic study
• Authors of publication: Tangoulis, V.; Panagoulis, D.; Raptopoulou, C. P.; Dendrinou-Samara, C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1752 - 1760
• a: 6.381 ± 0.004 Å
• b: 20.12 ± 0.01 Å
• c: 10.386 ± 0.005 Å
• α: 90°
• β: 99.23 ± 0.02°
• γ: 90°
• Cell volume: 1316.1 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No