Information card for entry 1546415

Structure parameters

• Formula: C248 H493 Gd52 N54 Ni52 O401.5
• Calculated formula: C248 H280 Gd52 N54 Ni52 O401.5
• Title of publication: Lantern-shaped 3d–4f high-nuclearity clusters with magnetocaloric effect
• Authors of publication: Lin, Qingfang; Li, Jing; Dong, Yayu; Zhou, Guangpeng; Song, You; Xu, Yan
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 30
• Pages of publication: 9745 - 9749
• a: 28.737 ± 0.015 Å
• b: 41.67 ± 0.02 Å
• c: 29.877 ± 0.015 Å
• α: 90°
• β: 107.598 ± 0.007°
• γ: 90°
• Cell volume: 34103 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1625
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No