Information card for entry 7052392

Structure parameters

• Common name: Bis(potassium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4)
• Chemical name: Bis[potassium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4)
• Formula: C36 H84 Ge5 K2 N8 O12
• Calculated formula: C36 H84 Ge5 K2 N8 O12
• SMILES: [Ge]12[Ge]34[Ge]51[Ge]23[Ge]45.[K]1234567[O]8CC[O]3CC[N]37CC[O]5CC[O]4CC[N]6(CC[O]2CC[O]1CC3)CC8.[K]1234567[O]8CC[O]2CC[N]27CC[O]4CC[O]3CC[N]6(CC[O]5CC[O]1CC2)CC8.N.N.N.N
• Title of publication: Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3
• Authors of publication: Suchentrunk, Christof; Korber, Nikolaus
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 1737
• a: 11.2887 ± 0.0009 Å
• b: 11.8949 ± 0.0009 Å
• c: 11.9433 ± 0.0009 Å
• α: 117.911 ± 0.008°
• β: 98.65 ± 0.009°
• γ: 91.797 ± 0.009°
• Cell volume: 1391.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No