Information card for entry 1549369

Structure parameters

• Chemical name: (TPFC)Sn-Co(TAP)
• Formula: C85 H44 Co F15 N8 O4 Sn
• Calculated formula: C85 H44 Co F15 N8 O4 Sn
• SMILES: [Sn]123([Co]456[n]7c8=C(c9n6c(C(=c6[n]5c(C(=c5n4c(=C(c4ccc(OC)cc4)c7cc8)cc5)c4ccc(OC)cc4)cc6)c4ccc(OC)cc4)cc9)c4ccc(OC)cc4)n4c5ccc4C(=c4n3c(cc4)=C(c3[n]2c(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: 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: 17.25 ± 0.005 Å
• b: 13.082 ± 0.003 Å
• c: 32.044 ± 0.009 Å
• α: 90°
• β: 96.735 ± 0.004°
• γ: 90°
• Cell volume: 7181 ± 3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No