Information card for entry 1513655

Structure parameters

• Formula: C80 H32 F30 Ge2 N8 O2
• Calculated formula: C80 H32 F30 Ge2 N8 O2
• SMILES: [Ge]123(O)[n]4c5C(=c6n1c(=C(c1n2c(cc1)c1n3c(C(=c4cc5)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F.CCCCCC
• Title of publication: Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations
• Authors of publication: Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 916
• a: 13.016 ± 0.004 Å
• b: 15.843 ± 0.005 Å
• c: 18.314 ± 0.006 Å
• α: 102.173 ± 0.004°
• β: 103.316 ± 0.005°
• γ: 99.283 ± 0.003°
• Cell volume: 3503.9 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No