Information card for entry 4130440

Structure parameters

• Formula: C46 H19 F15 Ge N4
• Calculated formula: C46 H19 F15 Ge N4
• SMILES: [Ge]123(n4c5C(=c6n3c(=C(c3[n]2c(=C(c2n1c(c4cc5)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F)CCCc1ccccc1
• Title of publication: Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.
• Authors of publication: Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 24
• Pages of publication: 7705 - 7710
• a: 15.204 ± 0.003 Å
• b: 10.0045 ± 0.0016 Å
• c: 24.937 ± 0.004 Å
• α: 90°
• β: 91.887 ± 0.003°
• γ: 90°
• Cell volume: 3791.1 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No