Information card for entry 2016531

Structure parameters

• Chemical name: Diacetonitrile-1κN,3κN-bis{μ-trans-N-[3-(dimethylamino)propyl]-N'- (2-hydroxyethyl)oxamidato(2-)}-1:2κ^5^N,N',O:O',N'';2:3κ^5^O',N'':N,N',O- dithiocyanato-1κN,3κN-tricopper(II)
• Formula: C24 H40 Cu3 N10 O6 S2
• Calculated formula: C24 H40 Cu3 N10 O6 S2
• Title of publication: Diacetonitrile-1κ<i>N</i>,3κ<i>N</i>-bis{μ-<i>trans</i>-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-(2-hydroxyethyl)oxamidato(2‒)}-1:2κ^5^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>',<i>N</i>'';2:3κ^5^O',<i>N</i>'':<i>N</i>,<i>N</i>',<i>O</i>-dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-tricopper(II)
• Authors of publication: Liu, Jin-Liang; Yan, Cui-Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Zhang, Wan-Ju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m149 - m152
• a: 6.04 ± 0.005 Å
• b: 8.262 ± 0.006 Å
• c: 17.256 ± 0.013 Å
• α: 91.999 ± 0.01°
• β: 97.831 ± 0.01°
• γ: 96.185 ± 0.01°
• Cell volume: 847 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes