Information card for entry 4332717

Structure parameters

• Formula: C54 H64 Cl4 Cu4 N18
• Calculated formula: C54 H64 Cl4 Cu4 N18
• 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: 11.3141 ± 0.0008 Å
• b: 11.6882 ± 0.0009 Å
• c: 13.9765 ± 0.001 Å
• α: 71.865 ± 0.009°
• β: 75.406 ± 0.009°
• γ: 63.465 ± 0.008°
• Cell volume: 1557.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No