Information card for entry 7003419

Structure parameters

• Formula: C36 H34 Br2 Cu4 N24 O3
• Calculated formula: C36 H28 Br2 Cu4 N24 O3
• SMILES: Br[Cu]1234[n]5c(N6C=[N]7c8nccc[n]8[Cu]89%10(Br)[n]%11c([N]%12=CN(c%13nccc[n]4%13)[Cu]4%1336[N](=CN(c3nccc[n]83)[Cu]7%10%12%13N(C=[N]4c3nccc[n]23)c2nccc[n]92)c2nccc[n]12)nccc%11)nccc5.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: 15.8186 ± 0.0017 Å
• b: 9.2496 ± 0.001 Å
• c: 17.972 ± 0.002 Å
• α: 90°
• β: 113.943 ± 0.002°
• γ: 90°
• Cell volume: 2403.3 ± 0.5 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: 0.0777
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No