Information card for entry 4342687

Structure parameters

• Common name: Sm@C76/NiOEP/0.86(bz)0.14(CF)
• Formula: C114.75 H46.75 Cl2 N4 Ni Sm
• Calculated formula: C114.879 H46.879 Cl1.869 N4 Ni Sm
• Title of publication: Sm@C2v(19138)-C76: A Non-IPR Cage Stabilized by a Divalent Metal Ion.
• Authors of publication: Hao, Yajuan; Feng, Lai; Xu, Wei; Gu, Zhenggen; Hu, Ziqi; Shi, Zujin; Slanina, Zdeněk; Uhlík, Filip
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4243 - 4248
• a: 25.339 ± 0.011 Å
• b: 14.944 ± 0.006 Å
• c: 19.147 ± 0.008 Å
• α: 90°
• β: 93.844 ± 0.005°
• γ: 90°
• Cell volume: 7234 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.299
• Weighted residual factors for all reflections included in the refinement: 0.3076
• 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: Yes
• Has Fobs: No