Information card for entry 7060416

Structure parameters

• Formula: C56 H28 Co F10 N4 O P
• Calculated formula: C56 H28 Co F10 N4 O P
• SMILES: [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)[n]4c5=C(c6n2c(c2n3c(C(=c3n1c(=C(c4cc5)c1ccc(cc1)C=O)cc3)c1c(F)c(F)c(F)c(F)c1F)cc2)cc6)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution
• Authors of publication: Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 5127 - 5136
• a: 14.6531 ± 0.0006 Å
• b: 32.9883 ± 0.0015 Å
• c: 10.9968 ± 0.0004 Å
• α: 90°
• β: 103.16 ± 0.004°
• γ: 90°
• Cell volume: 5176 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1385
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No