Information card for entry 7011896

Structure parameters

• Formula: C28 H68 Br4 Co2 Cu4 N8 O8
• Calculated formula: C28 H68 Br4 Co2 Cu4 N8 O8
• SMILES: C1[N](C)(C)[Co]234[O]5CC[N](C)([Cu]65([Br][Cu]5(Br)([N](CC[O]35)(C)C)[OH]26)[O]2CC[N](C)(C)[Co]352[O]2CC[N](C)(C)[Cu]62([Br][Cu]2([N](CC[O]32)(C)C)([O]4C1)[OH]56)Br)C.N#CC.N#CC
• Title of publication: Novel polynuclear CuII/CoII complexes constructed from one and two Cu2Co triangles with antiferromagnetic exchange coupling
• Authors of publication: Makhankova, Valeriya G.; Vassilyeva, Olga Yu.; Kokozay, Volodymyr N.; Skelton, Brian W.; Sorace, Lorenzo; Gatteschi, Dante
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4253
• a: 10.408 ± 0.002 Å
• b: 10.631 ± 0.002 Å
• c: 22.474 ± 0.004 Å
• α: 90°
• β: 91.54 ± 0.03°
• γ: 90°
• Cell volume: 2485.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections: 0.184
• Weighted residual factors for significantly intense reflections: 0.1445
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No