Information card for entry 7051082

Structure parameters

• Formula: C36 H72 Co3 Cu2 N4 O24
• Calculated formula: C36 H66 Co3 Cu2 N4 O24
• Title of publication: A unique heteropentanuclear CuII2CoIICoIII2 complex, synthesised from metallic Cu and Co acetate in the presence of triethanolamine. Magnetic properties and a strong H-bond stabilised lattice
• Authors of publication: Valeriya G. Makhankova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Brian W. Skelton; Jan Reedijk; Gerard A. Van Albada; Lorenzo Sorace; Dante Gatteschi
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 685 - 689
• a: 7.181 ± 0.002 Å
• b: 12.321 ± 0.002 Å
• c: 14.958 ± 0.003 Å
• α: 88.55 ± 0.02°
• β: 83.61 ± 0.02°
• γ: 86.5 ± 0.02°
• Cell volume: 1312.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 1.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No