Information card for entry 7218209

Structure parameters

• Formula: C26 H32 B Cl Co F2 N7 O4
• Calculated formula: C26 H32 B Cl Co F2 N7 O4
• SMILES: [Co]12(Cl)([n]3ccc(cc3)C3=c4c(C)cc(C)[n]4[B](n4c(C)cc(C)c34)(F)F)([N](=C(C(C)=N1=O)C)O)N(=C(C(C)=[N]2O)C)=O
• Title of publication: Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
• Authors of publication: Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 23884 - 23894
• a: 14.3736 ± 0.0011 Å
• b: 14.8242 ± 0.0011 Å
• c: 14.1707 ± 0.0012 Å
• α: 90°
• β: 97.653 ± 0.002°
• γ: 90°
• Cell volume: 2992.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.121
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No