Information card for entry 2200822

Structure parameters

• Chemical name: Hexa-μ~2~-chloro-tetrakis(2-ethylpyrazine-N)-μ~4~-oxo-tetracopper(II)
• Formula: C24 H32 Cl6 Cu4 N8 O
• Calculated formula: C24 H32 Cl6 Cu4 N8 O
• SMILES: [Cu]([Cl]1)([Cl]2)([Cl]3)([n]4cc(ncc4)CC)[O]45[Cu]1([Cl]6)([n]1cc(ncc1)CC)[Cl][Cu]24([n]1cc(ncc1)CC)[Cl][Cu]356[n]1cc(ncc1)CC
• Title of publication: Hexa-μ~2~-chloro-tetrakis(2-ethylpyrazine-<i>N</i>)-μ~4~-oxo-tetracopper(II)
• Authors of publication: Näther, Christian; Jeß, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m4 - m6
• a: 13.1203 ± 0.001 Å
• b: 13.0461 ± 0.0007 Å
• c: 20.7233 ± 0.0016 Å
• α: 90°
• β: 99.718 ± 0.009°
• γ: 90°
• Cell volume: 3496.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes