Information card for entry 2229102

Structure parameters

• Chemical name: Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole- κ<i>N</i>^2^)copper(II)]
• Formula: C40 H40 Cl6 Cu4 N8 O
• Calculated formula: C40 H40 Cl6 Cu4 N8 O
• SMILES: c1cc(c2[nH][n]([Cu]345[Cl][Cu]67([n]8c(C)cc(c9ccccc9)[nH]8)[O]83[Cu]([n]3c(C)cc(c9ccccc9)[nH]3)([Cl][Cu]8([n]3c(C)cc(c8ccccc8)[nH]3)([Cl]6)[Cl]5)([Cl]4)[Cl]7)c(C)c2)ccc1
• Title of publication: Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(3-methyl-5-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]
• Authors of publication: He, Hongshan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m140
• a: 14.546 ± 0.0006 Å
• b: 14.546 ± 0.0006 Å
• c: 11.1686 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2363.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes