Information card for entry 7021184

Structure parameters

• Formula: C36 H108 Cl9 La3 N15 Na3 Ni9 O96
• Calculated formula: C36 H84 Cl9 La3 N15 Ni9 O84
• 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: 15 ± 0.002 Å
• b: 15 ± 0.002 Å
• c: 29.211 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5692 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No