Information card for entry 7701116

Structure parameters

• Chemical name: Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
• Formula: C54 H86 Co2 N8 O24 Y2
• Calculated formula: C54 H86 Co2 N8 O24 Y2
• Title of publication: Dinuclear Co^IIY^IIIvs. tetranuclear CoY complexes: the effect of increasing molecular size on magnetic anisotropy and relaxation dynamics.
• Authors of publication: Masegosa, Alberto; Palacios, María A; Ruiz, Eliseo; Gómez-Coca, Silvia; Krzystek, J.; Moreno, José M; Colacio, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14873 - 14884
• a: 12.959 ± 0.003 Å
• b: 12.394 ± 0.003 Å
• c: 19.345 ± 0.004 Å
• α: 90°
• β: 94.4 ± 0.03°
• γ: 90°
• Cell volume: 3097.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No