Information card for entry 7214135

Structure parameters

• Formula: C47 H18 Co F15 N6
• Calculated formula: C47 H18 Co F15 N6
• SMILES: c12ccc3C(=c4ccc5=C(c6ccc7c8ccc(=C1c1c(c(c(c(c1F)F)F)F)F)[n]8[Co](n23)(n45)(n67)([n]1ccccc1)[n]1ccccc1)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Electrochemical, spectroscopic and theoretical studies of a simple bifunctional cobalt corrole catalyst for oxygen evolution and hydrogen production.
• Authors of publication: Lei, Haitao; Han, Ali; Li, Fengwang; Zhang, Meining; Han, Yongzhen; Du, Pingwu; Lai, Wenzhen; Cao, Rui
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1883 - 1893
• a: 13.638 ± 0.004 Å
• b: 16.772 ± 0.004 Å
• c: 20.382 ± 0.005 Å
• α: 71.783 ± 0.005°
• β: 80.567 ± 0.007°
• γ: 87.282 ± 0.007°
• Cell volume: 4369 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1441
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.2712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No