Information card for entry 2208504

Structure parameters

• Chemical name: Tetra-μ~2~-cyano-κ^8^C:N-μ~2~-2,5-dimethylpyrazine-κ^2^N:N'- hexakis(2,5-dimethylpyrazine-κN)octa-μ~2~-thiocyanato-κ^16^N:S- decacopper(I,II)
• Formula: C54 H56 Cu10 N26 S8
• Calculated formula: C54 H56 Cu10 N26 S8
• Title of publication: Tetra-μ~2~-cyano-κ^8^<i>C</i>:<i>N</i>-μ~2~-2,6-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>'-hexakis(2,6-dimethylpyrazine-κ<i>N</i>)octa-μ~2~-thiocyanato-κ^16^<i>N</i>:<i>S</i>-decacopper(I,II)
• Authors of publication: Jeß, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m721 - m723
• a: 10.2406 ± 0.0007 Å
• b: 13.2211 ± 0.0012 Å
• c: 14.7809 ± 0.0014 Å
• α: 97.837 ± 0.011°
• β: 109.463 ± 0.01°
• γ: 92.057 ± 0.01°
• Cell volume: 1862.1 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1486
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes