Information card for entry 4323565

Structure parameters

• Chemical name: Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] closo-pentagermanium(2-) tetrahydrofuran
• Formula: C40 H80 Ge5 K2 N4 O13
• Calculated formula: C40 H80 Ge5 K2 N4 O13
• SMILES: [Ge]12[Ge]34[Ge]51[Ge]23[Ge]45.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.O1CCCC1
• Title of publication: The closo-Ge52- Anion: Synthesis, Crystal Structure, and Raman Spectrum of (2,2,2-crypt-K+)2Ge52-.THF
• Authors of publication: Janette Campbell; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4078 - 4081
• a: 10.9657 ± 0.0004 Å
• b: 12.175 ± 0.0005 Å
• c: 12.9142 ± 0.0005 Å
• α: 62.163 ± 0.001°
• β: 67.776 ± 0.001°
• γ: 84.187 ± 0.001°
• Cell volume: 1405.37 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.1068
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No