Information card for entry 7048759

Structure parameters

• Formula: C54 H70 Dy2 N8 O20
• Calculated formula: C54 H70 Dy2 N8 O20
• Title of publication: Hard versus soft: zero-field dinuclear Dy(iii) oxygen bridged SMM and theoretical predictions of the sulfur and selenium analogues.
• Authors of publication: Vignesh, Kuduva R.; Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2872 - 2876
• a: 10.5842 ± 0.0003 Å
• b: 12.0661 ± 0.0004 Å
• c: 12.7702 ± 0.0004 Å
• α: 63.514 ± 0.001°
• β: 85.646 ± 0.001°
• γ: 80.89 ± 0.001°
• Cell volume: 1441.27 ± 0.08 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No