Information card for entry 1549367

Structure parameters

• Chemical name: (TAP)Co
• Formula: C54 H42 Co N4 O4
• Calculated formula: C54 H42 Co N4 O4
• SMILES: [Co]123n4c5=C(c6[n]1c(=C(c1n2c(cc1)C(=c1[n]3c(cc1)C(=c4cc5)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)cc6)c1ccc(OC)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: 14.361 ± 0.003 Å
• b: 9.517 ± 0.0019 Å
• c: 15.449 ± 0.003 Å
• α: 90°
• β: 99.257 ± 0.003°
• γ: 90°
• Cell volume: 2084 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No