Information card for entry 7708339

Structure parameters

• Formula: C36 H117 Co2 Ge17 K6 N19 O12
• Calculated formula: C36 H117 Co2 Ge17 K6 N19 O12
• 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: 19.6865 ± 0.0006 Å
• b: 32.1696 ± 0.001 Å
• c: 15.3982 ± 0.0004 Å
• α: 90°
• β: 110.634 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 9126.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No