Information card for entry 4123771

Structure parameters

• Formula: C39 H15 F15 Ge N4 O2
• Calculated formula: C39 H15 F15 Ge N4 O2
• SMILES: [Ge]123(OC)([OH]C)[n]4c5c6n3c(C(=c3n2c(=C(c2n1c(C(c1c(F)c(F)c(F)c(F)c1F)=c4cc5)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6
• Title of publication: The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.
• Authors of publication: Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 22
• Pages of publication: 7122 - 7127
• a: 7.5486 ± 0.0015 Å
• b: 16.115 ± 0.003 Å
• c: 17.618 ± 0.004 Å
• α: 102.73 ± 0.03°
• β: 94.37 ± 0.03°
• γ: 100.05 ± 0.03°
• Cell volume: 2043.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No