Information card for entry 4130436

Structure parameters

• Formula: C67 H14 B F35 Ge N4
• Calculated formula: C67 H14 B F35 Ge N4
• SMILES: [Ge]123(n4c5ccc4C(c4c(c(c(c(c4F)F)F)F)F)=c4[n]1c(cc4)C(c1c(c(c(c(c1F)F)F)F)F)=c1n2c(cc1)=C(c1c(c(c(c(c1F)F)F)F)F)c1n3c5cc1)[cH]1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 24.836 ± 0.003 Å
• b: 10.6607 ± 0.0006 Å
• c: 29.1236 ± 0.0019 Å
• α: 90°
• β: 102.166 ± 0.008°
• γ: 90°
• Cell volume: 7537.8 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.131
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No