Information card for entry 8106506

Structure parameters

• Formula: C12 H12 Cu N4 O6 S
• Calculated formula: C12 H12 Cu N4 O6 S
• Title of publication: Crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis(2,2′-sulfonyldipyrazine-κ1 N)dicopper(II), C24H24Cu2N8O12S2
• Authors of publication: Qiang, Hong; Xiao, Guo-Wei; Sun, Xin-Zhan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 269 - 270
• a: 10.4668 ± 0.0012 Å
• b: 10.1315 ± 0.0012 Å
• c: 14.9315 ± 0.0017 Å
• α: 90°
• β: 94.608 ± 0.005°
• γ: 90°
• Cell volume: 1578.3 ± 0.3 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: 0.0318
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No