Information card for entry 4101304

Structure parameters

• Formula: C38 H80 K2 N6 Ni0.5 O12 Pb6
• Calculated formula: C37.98 H72 K2 N5.98 Ni0.5 O12 Pb6
• Title of publication: The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt.
• Authors of publication: Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9178 - 9186
• a: 14.512 ± 0.003 Å
• b: 15.406 ± 0.003 Å
• c: 16.335 ± 0.003 Å
• α: 62.961 ± 0.003°
• β: 64.337 ± 0.003°
• γ: 87.126 ± 0.004°
• Cell volume: 2882.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No