Information card for entry 7003418

Structure parameters

• Formula: C36 H34 Cl2 Cu4 N24 O3
• Calculated formula: C36 H28 Cl2 Cu4 N24 O3
• SMILES: C1=[N]2c3nccc[n]3[Cu]345([n]6c(N7C=[N]8c9nccc[n]9[Cu]9%10%11(Cl)[n]%12c([N]%13=CN(c%14[n]5cccn%14)[Cu]5247[N](=CN(c2nccc[n]92)[Cu]8%10%135N1c1nccc[n]%111)c1[n]3cccn1)nccc%12)nccc6)Cl.O.O.O
• Title of publication: Syntheses, structures and magnetism of linear tri- and tetra-copper chains containing anions of N,N′-bis(pyrimidine-2-yl)formamidine
• Authors of publication: Chan, Zhi-Kai; Lin, Chia-Her; Wang, Chih-Chieh; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2183 - 2189
• a: 15.449 ± 0.003 Å
• b: 9.2458 ± 0.0015 Å
• c: 17.828 ± 0.003 Å
• α: 90°
• β: 112.658 ± 0.003°
• γ: 90°
• Cell volume: 2350 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No