Information card for entry 7700049

Structure parameters

• Formula: C30 H44 B2 Dy I N12
• Calculated formula: C30 H44 B2 Dy I N12
• Title of publication: Switching on single-molecule magnet properties of homoleptic sandwich tris(pyrazolyl)borate dysprosium(iii) cations via intermolecular dipolar coupling.
• Authors of publication: Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10610 - 10618
• a: 16.4584 ± 0.0011 Å
• b: 12.8987 ± 0.0008 Å
• c: 8.4033 ± 0.0006 Å
• α: 90°
• β: 91.81 ± 0.003°
• γ: 90°
• Cell volume: 1783.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.42 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No