Information card for entry 4104615

Structure parameters

• Chemical name: (K-crypt)3[Ge9-(C(CH3)=CHCH2CH3)]0.5[Ge9-(C(CH2CH3)=CHCH3)]0.5 0.4bz
• Formula: C60.25 H116.1 Ge9 K3 N6 O18
• Calculated formula: C60.254 H116.103 Ge9 K3 N6 O18
• Title of publication: Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions
• Authors of publication: Michael W. Hull; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9026 - 9037
• a: 14.2449 ± 0.0004 Å
• b: 14.3354 ± 0.0004 Å
• c: 20.8288 ± 0.0006 Å
• α: 94.688 ± 0.002°
• β: 94.819 ± 0.002°
• γ: 102.3 ± 0.002°
• Cell volume: 4119.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No