Information card for entry 1570480

Structure parameters

• Formula: C72 H144 Fe3 K4 N8 O24 Sn18
• Calculated formula: C72 H144 Fe3 K4 N8 O24 Sn18
• Title of publication: Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe₃ core, [Fe₃Sn₁₈]⁴.
• Authors of publication: Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1018 - 1026
• a: 14.8596 ± 0.0003 Å
• b: 25.1992 ± 0.0004 Å
• c: 18.793 ± 0.0005 Å
• α: 90°
• β: 108.689 ± 0.003°
• γ: 90°
• Cell volume: 6666 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No