Information card for entry 4126600

Structure parameters

• Formula: C156 H294 Ge18 K2 N4 O15 Pd3 Sn6
• Calculated formula: C152 H285 Ge18 K2 N4 O14 Pd3 Sn6
• SMILES: [Sn]([Ge]12345[Pd]6789%10%11[Pd]%12%13%14%15%16%17[Pd]%18%19%2016([Ge]16%12([Sn](C%12CCCCC%12)(C%12CCCCC%12)C%12CCCCC%12)[Ge]%12%21%16[Ge]%167%13([Sn](C7CCCCC7)(C7CCCCC7)C7CCCCC7)[Ge]7%13%12[Ge]%124([Ge]3%201[Ge]6%21%13%12)[Ge]5%11%167)[Ge]1328[Ge]24%10([Sn](C5CCCCC5)(C5CCCCC5)C5CCCCC5)[Ge]59%15[Ge]67%17([Sn](C8CCCCC8)(C8CCCCC8)C8CCCCC8)[Ge]8%14%18[Ge]9%191([Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Ge]132[Ge]456[Ge]7891)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[K]1234567[O]8CC[O]2CC[N]27CC[O]1CC[O]3CC[N]6(CC8)CC[O]4CC[O]5CC2.[K]1234567[O]8CC[O]2CC[N]26CC[O]1CC[O]4CC[N]7(CC8)CC[O]5CC[O]3CC2.C1CCCO1.C1COCC1
• Title of publication: Eclipsed- and Staggered-[Ge18Pd3{E(i)Pr3}6](2-) (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters.
• Authors of publication: Perla, Luis G.; Muñoz-Castro, Alvaro; Sevov, Slavi C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.848 ± 0.004 Å
• b: 19.14 ± 0.005 Å
• c: 32.176 ± 0.008 Å
• α: 95.902 ± 0.003°
• β: 90.31 ± 0.003°
• γ: 113.358 ± 0.003°
• Cell volume: 9463 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.52 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No