Information card for entry 7708340

Structure parameters

• Formula: C54 H135 Co Ge10 K3 N15 O18
• Calculated formula: C54 H135 Co Ge10 K3 N15 O18
• SMILES: [Ge]123[Ge]45[Ge]67[Ge]89[Ge]%101[Ge]1%11[Ge]%122[Ge]24[Ge]46[Ge]81[Co]3579%10%11%1224.[K]1234567[N]%11%12CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC%11)CC[O]7CC[O]6CC%12.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.N.N.N.N.N.N.N.N.N
• Title of publication: Filled Trivacant Icosahedra as Building Fragments in 17-atomic Endohedral Germanides [TM2@Ge17]n- (TM = Co, Ni)
• Authors of publication: Wallach, Chistoph; Selic, Yasmin; Witzel, Benedikt; Klein, Wilhelm; Fässler, Thomas F
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.4142 ± 0.0014 Å
• b: 16.1395 ± 0.0017 Å
• c: 25.212 ± 0.003 Å
• α: 72.851 ± 0.009°
• β: 89.887 ± 0.009°
• γ: 70.505 ± 0.009°
• Cell volume: 4524 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No