Information card for entry 4328467

Structure parameters

• Chemical name: (K-crypt)[Ge9(Si(Si(CH3)3)3]
• Formula: C45 H117 Ge9 K N2 O6 Si12
• Calculated formula: C45 H117 Ge9 K N2 O6 Si12
• SMILES: [Ge]123[Ge]45[Ge]61[Ge]12([Ge]27[Ge]8([Ge]12[Ge]568[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Ge]347[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• Title of publication: Rational Synthesis of [Ge9{Si(SiMe3)3}3]- from Its Parent Zintl Ion Ge94-
• Authors of publication: Feng Li; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2706 - 2708
• a: 26.497 ± 0.003 Å
• b: 24.09 ± 0.002 Å
• c: 29.268 ± 0.003 Å
• α: 90°
• β: 113.888 ± 0.002°
• γ: 90°
• Cell volume: 17082 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1023
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No