Information card for entry 7011895

Structure parameters

• Formula: C32 H74 Co2 Cu4 I4 N10 O8
• Calculated formula: C32 H74 Co2 Cu4 I4 N10 O8
• SMILES: C1[N](C)(C)[Co]234[O]5CC[N](C)([Cu]65([I][Cu]5(I)([N](CC[O]35)(C)C)[OH]26)[O]2CC[N](C)(C)[Co]352[O]2CC[N](C)(C)[Cu]62([I][Cu]2([N](CC[O]32)(C)C)([O]4C1)[OH]56)I)C.N#CC.N#CC.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: 15.372 ± 0.002 Å
• b: 10.781 ± 0.002 Å
• c: 16.487 ± 0.003 Å
• α: 90°
• β: 95.647 ± 0.002°
• γ: 90°
• Cell volume: 2719.1 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.097
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections: 1.858
• Goodness-of-fit parameter for all reflections included in the refinement: 2.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No