Information card for entry 4101768

Structure parameters

• Formula: C76 H160 K4 N12 Ni2 O24 Sn17
• Calculated formula: C76 H159.98 K4 N12 Ni2 O24 Sn17
• Title of publication: Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.
• Authors of publication: Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 1
• Pages of publication: 12 - 13
• a: 28.793 ± 0.0014 Å
• b: 16.7444 ± 0.0008 Å
• c: 29.2296 ± 0.0014 Å
• α: 90°
• β: 116.024 ± 0.001°
• γ: 90°
• Cell volume: 12663.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No