Information card for entry 7120020

Structure parameters

• Formula: C45 H20 F10 N4 O3
• Calculated formula: C45 H20 F10 N4 O3
• SMILES: C1(c2ccc(C(=c3ccc(c4ccc(C(=c5ccc=1[nH]5)c1c(c(c(c(c1F)F)F)F)F)[nH]4)n3)c1c(c(c(c(c1F)F)F)F)F)[nH]2)c1cccc2c1oc1c2cccc1C(=O)OC
• Title of publication: Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution
• Authors of publication: Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.525 ± 0.003 Å
• b: 16.113 ± 0.003 Å
• c: 17.383 ± 0.004 Å
• α: 105.88 ± 0.03°
• β: 101.79 ± 0.03°
• γ: 107.16 ± 0.03°
• Cell volume: 3799.2 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No