Information card for entry 4332718

Structure parameters

• Formula: C6 H8 Cl Cu N2
• Calculated formula: C6 H8 Cl Cu N2
• Title of publication: Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds
• Authors of publication: Jess, Inke; Näther, Christian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7446 - 7454
• a: 11.5876 ± 0.0006 Å
• b: 9.4479 ± 0.0005 Å
• c: 13.1804 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1442.97 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No