Information card for entry 7106979

Structure parameters

• Formula: C41 H17 F15 Ge N4 O
• Calculated formula: C41 H17 F15 Ge N4 O
• SMILES: [Ge]123([n]4c5ccc4=C(c4n1c(cc4)c1n2c(cc1)C(=c1n3c(cc1)=C5c1c(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)C.O=C(C)C
• Title of publication: Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides
• Authors of publication: Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11677
• a: 18.678 ± 0.004 Å
• b: 7.4805 ± 0.0015 Å
• c: 26.052 ± 0.005 Å
• α: 90°
• β: 92.76 ± 0.03°
• γ: 90°
• Cell volume: 3635.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No