Information card for entry 7218211

Structure parameters

• Formula: C26 H32 B Cl Co F2 N7 O4
• Calculated formula: C26 H32 B Cl Co F2 N7 O4
• SMILES: C1(C(C)=N(=O)[Co]2([N]=1O)([n]1cc(ccc1)C1=c3[n]([B](F)(F)n4c1c(C)cc4C)c(cc3C)C)(Cl)N(=C(C(C)=[N]2O)C)=O)C
• 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: 32.1886 ± 0.001 Å
• b: 13.8873 ± 0.0005 Å
• c: 8.432 ± 0.0003 Å
• α: 90°
• β: 104.759 ± 0.003°
• γ: 90°
• Cell volume: 3644.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No