Information card for entry 4130765

Structure parameters

• Formula: C96 H212 Ge18 K2 N4 O13 Pd3 Sn6
• Calculated formula: C96 H207 Ge18 K2 N4 O13 Pd3 Sn6
• SMILES: CC(C)OC(C)C.CC(C)[Sn](C(C)C)(C(C)C)[Ge]1234[Ge]567[Ge]892[Ge]2%105[Ge]5%11%12[Ge]%13%14%15([Sn](C(C)C)(C(C)C)C(C)C)[Pd]%16%17%18%191([Ge]1%20%21[Ge]%22%23%24([Ge]%25%26%27%28[Ge]%29%30%22[Ge]%22%31%32[Ge]%33%16([Ge]%25%29%22([Sn](C(C)C)(C(C)C)C(C)C)[Pd]%16%11%14%17%27%33[Ge]825%26([Sn](C(C)C)(C(C)C)C(C)C)[Pd]49%19%21%24%28%16)[Ge]%18%20%32([Sn](C(C)C)(C(C)C)C(C)C)[Ge]1%23%30%31)[Sn](C(C)C)(C(C)C)C(C)C)[Ge]36%13[Ge]7%10%12%15.C1C[O]2CC[N]34CC[O]5CC[O]6CC[N]78CC[O]1[K]124568[O](CC[O]1CC7)CC3.C1C[O]2CC[N]34CC[O]5CC[O]6CC[N]78CC[O]1[K]124568[O](CC[O]1CC7)CC3
• Title of publication: A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.
• Authors of publication: Perla, Luis G.; Sevov, Slavi C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 9795 - 9798
• a: 17.3152 ± 0.0009 Å
• b: 31.1602 ± 0.0017 Å
• c: 26.1732 ± 0.0013 Å
• α: 90°
• β: 96.851 ± 0.002°
• γ: 90°
• Cell volume: 14020.8 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.01 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No