Information card for entry 7008153

Structure parameters

• Formula: C45 H57 Cu4 N21 S2
• Calculated formula: C45 H57 Cu4 N21 S2
• SMILES: [Cu]123([Cu]456[Cu]789[Cu]([n]%10c(N7C=[N]4c4[n]1cccn4)nccc%10)([n]1c(N8C=[N]5c4[n]2cccn4)nccc1)([n]1c(N9C=[N]6c2[n]3cccn2)nccc1)N=C=S)N=C=S.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Linear and cyclic tetranuclear copper(I) complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.
• Authors of publication: Chan, Zhi-Kai; Wu, Ying-Yann; Chen, Jhy-Der; Yeh, Chen-Yu; Wang, Chih-Chieh; Tsai, Yi-Fang; Wang, Ju-Chun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 985 - 990
• a: 12.1269 ± 0.0015 Å
• b: 15.4003 ± 0.0019 Å
• c: 15.433 ± 0.0019 Å
• α: 77.244 ± 0.002°
• β: 80.623 ± 0.002°
• γ: 69.965 ± 0.002°
• Cell volume: 2629 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No