Information card for entry 1549371

Structure parameters

• Chemical name: (TPFC)Sn-(p-MeO-phenylacetylene)-Co(TAP)
• Formula: C94 H52 Co F15 N8 O5 Sn
• Calculated formula: C94 H52 Co F15 N8 O5 Sn
• SMILES: [Sn]123(n4c5ccc4c4[n]3c(cc4)=C(c3[n]2c(cc3)=C(c2[n]1c(cc2)=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=C([Co]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(OC)cc1)cc2)c1ccc(OC)cc1)cc3)c1ccc(OC)cc1)cc6)c1ccc(OC)cc1)\c1ccc(OC)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: 15.523 ± 0.004 Å
• b: 16.499 ± 0.002 Å
• c: 20.024 ± 0.002 Å
• α: 93.436 ± 0.01°
• β: 111.524 ± 0.01°
• γ: 102.953 ± 0.011°
• Cell volume: 4591.9 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2423
• 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: No
• Has Fobs: No