Information card for entry 1549368

Structure parameters

• Chemical name: (TAP)Co-(1-(p-fluorophenyl)vinyl)
• Formula: C62 H48 Co F N4 O4
• Calculated formula: C62 H48 Co F N4 O4
• SMILES: [Co]123([n]4c5=C(c6n1c(C(=c1[n]2c(C(=c2n3c(=C(c4cc5)c3ccc(OC)cc3)cc2)c2ccc(OC)cc2)cc1)c1ccc(OC)cc1)cc6)c1ccc(OC)cc1)C(=C)c1ccc(F)cc1.c1ccccc1
• 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: 21.495 ± 0.002 Å
• b: 13.598 ± 0.003 Å
• c: 16.434 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4803.5 ± 1.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No