Information card for entry 1513654

Structure parameters

• Formula: C46 H26 F15 Ge N5 O
• Calculated formula: C46 H26 F15 Ge N5 O
• SMILES: [Ge]123(ON4C(CCCC4(C)C)(C)C)n4c5ccc4C(=c4[n]3c(cc4)C(=c3n2c(cc3)=C(c2n1c5cc2)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 8.9476 ± 0.0018 Å
• b: 15.748 ± 0.003 Å
• c: 32.247 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4543.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No