Information card for entry 7041851

Structure parameters

• Formula: C100 H194 K6 O32 Si14
• Calculated formula: C100 H194 K6 O32 Si14
• SMILES: [K]1234[O]56[K]7[O]81[Si]1(C9CCCCC9)O[Si]9(C%10CCCCC%10)[O]3[Si](C3CCCCC3)([O]32[K]([O](C)CCOC)[O]2%10[K]%11%126[O]4([K]32)[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](C4CCCCC4)([O]7%11[K]8[O](C)CCOC)[O]%12[Si]4(C6CCCCC6)O[Si]%10(C6CCCCC6)O[Si](C6CCCCC6)(O[Si](C6CCCCC6)(O4)O3)O2)O[Si]2(C3CCCCC3)O[Si](C3CCCCC3)(O9)O[Si](C3CCCCC3)(O1)O[Si]5(C1CCCCC1)O2.COCCOC.COCCOC
• Title of publication: Synthesis and structural study of new metallasilsesquioxanes of potassium and uranium.
• Authors of publication: Gießmann, Stephan; Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Fischer, Axel; Edelmann, Frank T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2415 - 2419
• a: 15.1248 ± 0.0006 Å
• b: 15.1905 ± 0.0006 Å
• c: 16.8898 ± 0.0006 Å
• α: 101.994 ± 0.003°
• β: 96.467 ± 0.003°
• γ: 115.554 ± 0.003°
• Cell volume: 3333.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No