Information card for entry 4307840

Structure parameters

• Chemical name: (K-crypt)4[tBu-Ge9-Ge9-tBu]*7en
• Formula: C94 H182 Ge18 K4 N22 O24
• Calculated formula: C93.56 H162 Ge18 K4 N21.56 O24
• Title of publication: Alkylation of Deltahedral Zintl Clusters: Synthesis of [R-Ge9-Ge9-R]4- (R = tBu, sBu, nBu, tAm) and Structure of [tBu-Ge9-Ge9-tBu]4-
• Authors of publication: Michael W. Hull; Angel Ugrinov; Ivaylo Petrov; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2704 - 2708
• a: 35.0914 ± 0.001 Å
• b: 24.8161 ± 0.0006 Å
• c: 16.8782 ± 0.0005 Å
• α: 90°
• β: 94.0136 ± 0.0017°
• γ: 90°
• Cell volume: 14662 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No