Information card for entry 7039237

Structure parameters

• Formula: C90 H113 Dy2 Ga4 N5 O26
• Calculated formula: C90 H113 Dy2 Ga4 N5 O26
• Title of publication: First heterometallic Ga(III)-Dy(III) single-molecule magnets: implication of Ga(III) in extracting Fe-Dy interaction.
• Authors of publication: Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9336 - 9344
• a: 15.0554 ± 0.0005 Å
• b: 29.0734 ± 0.0011 Å
• c: 22.3017 ± 0.0008 Å
• α: 90°
• β: 106.594 ± 0.004°
• γ: 90°
• Cell volume: 9355.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No