Information card for entry 1549370

Structure parameters

• Chemical name: (TPFC)Sn-O-Sn(TPFC)
• Formula: C74 H16 F30 N8 O Sn2
• Calculated formula: C74 H16 F30 N8 O Sn2
• SMILES: [Sn]123(O[Sn]456n7c8=C(c9[n]4c(=C(c4n5c(cc4)c4n6c(C(=c7cc8)c5c(F)c(F)c(F)c(F)c5F)cc4)c4c(F)c(F)c(F)c(F)c4F)cc9)c4c(F)c(F)c(F)c(F)c4F)n4c5ccc4C(c4c(F)c(F)c(F)c(F)c4F)=c4[n]1c(cc4)C(c1c(F)c(F)c(F)c(F)c1F)=c1n2c(=C(c2c(F)c(F)c(F)c(F)c2F)c2n3c5cc2)cc1
• Title of publication: Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
• Authors of publication: Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4999 - 5007
• a: 12.8962 ± 0.0018 Å
• b: 15.333 ± 0.002 Å
• c: 21.248 ± 0.003 Å
• α: 101.533 ± 0.002°
• β: 90.07 ± 0.002°
• γ: 106.286 ± 0.002°
• Cell volume: 3944.2 ± 0.9 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: 0.0606
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No