Information card for entry 4339997

Structure parameters

• Formula: C44 H21 F15 N4 O3 Sn
• Calculated formula: C44 H21 F15 N4 O3 Sn
• SMILES: [Sn]123([n]4c5ccc4=C(c4c(F)c(F)c(F)c(F)c4F)c4n1c(cc4)C(c1c(F)c(F)c(F)c(F)c1F)=c1[n]2c(cc1)C(c1c(F)c(F)c(F)c(F)c1F)=c1[n]3c5cc1)CCC(=O)OC.O=C(C)C
• Title of publication: Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.
• Authors of publication: Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 7047 - 7054
• a: 7.5 ± 0.0018 Å
• b: 26.912 ± 0.007 Å
• c: 23.054 ± 0.006 Å
• α: 90°
• β: 94.707 ± 0.003°
• γ: 90°
• Cell volume: 4638 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No