Information card for entry 7025690

Structure parameters

• Formula: C62 H92 Co2 Dy2 N6 O20
• Calculated formula: C58 H86 Co2 Dy2 N4 O20
• SMILES: c12cccc(CO)[n]2[Co]2345[O]6(C1)[Dy]1789(OC(=[O]3)C(C)(C)C)(OC(=O)C(C)(C)C)[n]3c(cccc3C[OH]8)C[O]21[Dy]1238([O]=C(O4)C(C)(C)C)(OC(=O)C(C)(C)C)[n]4c(cccc4C[OH]3)C[O]92[Co]26([n]3c(cccc3CO)C[O]512)([O]=C(O8)C(C)(C)C)OC(=[O]7)C(C)(C)C
• Title of publication: Synthesis, structures and magnetic properties of a series of 3d-4f tetranuclear Co(II)₂Ln(III)₂ cubanes.
• Authors of publication: Zhao, Xiao-Qing; Lan, Yanhua; Zhao, Bin; Cheng, Peng; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4911 - 4917
• a: 19.8071 ± 0.0012 Å
• b: 23.3437 ± 0.0015 Å
• c: 16.0781 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7434 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No