Information card for entry 1570480

Structure parameters

• Formula: C72 H144 Fe3 K4 N8 O24 Sn18
• Calculated formula: C72 H144 Fe3 K4 N8 O24 Sn18
• SMILES: [K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[Sn]1234[Sn]567[Sn]89[Fe]%10%11%12%13%14%1515[Fe]15%16%178([Fe]8%18%19%20%21%22%23%24[Sn]%25%26%27[Sn]%28%298[Sn]8%18%25[Sn]%18%19%26[Sn]1%20[Sn]%21%27%28[Sn]5%22[Sn]%23%298[Sn]%17%24%18)[Sn]7%13[Sn]15%14[Sn]26%10[Sn]3%111[Sn]49%12[Sn]%15%165.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9
• 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