Information card for entry 7021183

Structure parameters

• Formula: C48 H115 Cl6 Gd5 N18 Ni12 O95
• Calculated formula: C48 H78 Gd5 N18 Ni12 O60
• Title of publication: New 3d-4f heterometallic clusters built from mixed glycine and iminodiacetate acid: dioctahedron {La2Ni9} and onion-like {Gd5}⊂{Ni12} with interesting magnetocaloric effect.
• Authors of publication: Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5711 - 5717
• a: 17.069 ± 0.003 Å
• b: 26.593 ± 0.004 Å
• c: 26.75 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12142 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No