Information card for entry 4114357

Structure parameters

• Chemical name: (K-18C6)3[Ge9].3en
• Formula: C42 H96 Ge9 K3 N6 O18
• Calculated formula: C42 H96.03 Ge9 K3 N6 O18
• Title of publication: Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-
• Authors of publication: Angel Ugrinov; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14059 - 14064
• a: 18.1006 ± 0.0018 Å
• b: 15.4909 ± 0.0016 Å
• c: 24.589 ± 0.003 Å
• α: 90°
• β: 96.513 ± 0.002°
• γ: 90°
• Cell volume: 6850.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1832
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.3255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No