Information card for entry 7011894

Structure parameters

• Formula: C16 H31.5 Co Cu2 N6.5 O3 S3
• Calculated formula: C16 H31.5 Co Cu2 N6.5 O3 S3
• 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: 14.036 ± 0.002 Å
• b: 20.009 ± 0.003 Å
• c: 10.097 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2835.7 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 1.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No