Information card for entry 8106694

Structure parameters

• Formula: C20 H16 Cu N10 O2
• Calculated formula: C20 H16 Cu N10 O2
• Title of publication: Crystal structure of bis((pyrazin-2-ylmethyl)(pyrazine-2-carbonyl)amido-κ3 N,N′,N′′)copper(II), C20H16CuN10O2
• Authors of publication: Wang, Zhaodong; Xu, Qiang; Ni, Haitao; Liu, Xidong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 835 - 836
• a: 8.8634 ± 0.0006 Å
• b: 8.8634 ± 0.0006 Å
• c: 27.731 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2178.5 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No