Information card for entry 7008152

Structure parameters

• Formula: C36 H28 Cu4 N24
• Calculated formula: C36 H28 Cu4 N24
• SMILES: c1ccnc(n1)N1C=[N](c2ncccn2)[Cu]23[Cu]41[N](c1ncccn1)=CN(c1ncccn1)[Cu]14[N](=CN(c4ncccn4)[Cu]31N(c1ncccn1)C=[N]2c1ncccn1)c1ncccn1
• 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: 17.396 ± 0.003 Å
• b: 11.9413 ± 0.0019 Å
• c: 20.412 ± 0.003 Å
• α: 90°
• β: 110.662 ± 0.003°
• γ: 90°
• Cell volume: 3967.5 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No