Information card for entry 7017975

Structure parameters

• Formula: C33 H45 Gd N4.5 O9
• Calculated formula: C32.5 H44.5 Gd N5 O9
• Title of publication: Ligand field-tuned single-molecule magnet behaviour of 2p-4f complexes.
• Authors of publication: Mei, Xue-Lan; Ma, Yue; Li, Li-Cun; Liao, Dai-Zheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 505 - 511
• a: 24.18 ± 0.005 Å
• b: 15.012 ± 0.003 Å
• c: 19.798 ± 0.004 Å
• α: 90°
• β: 100.55 ± 0.03°
• γ: 90°
• Cell volume: 7065 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No