Information card for entry 7008151

Structure parameters

• Formula: C49 H61 Cu4 K N20 O5 S2
• Calculated formula: C49 H61 Cu4 K N20 O5 S2
• SMILES: S=C=N[Cu]123[n]4cccnc4N4C=[N]5c6[n](cccn6)[Cu]67([n]8cccnc8[N]8=CN(c9[n]2cccn9)[Cu]234[N](c3[n]1cccn3)=CN(c1[n]6cccn1)[Cu]5782)N=C=S.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 23.372 ± 0.003 Å
• b: 22.429 ± 0.003 Å
• c: 12.0476 ± 0.0017 Å
• α: 90°
• β: 111.361 ± 0.003°
• γ: 90°
• Cell volume: 5881.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No