Information card for entry 4117949

Structure parameters

• Formula: C39 H11 B1.3 Cl3 F22.62 Fe N6 O4
• Calculated formula: C39 H11 B1.317 Cl3 F22.634 Fe N6 O4
• Title of publication: Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials
• Authors of publication: Michael J. Rose; Harry B. Gray; Jay R. Winkler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8310 - 8313
• a: 9.0321 ± 0.0004 Å
• b: 30.6711 ± 0.0013 Å
• c: 15.7862 ± 0.0007 Å
• α: 90°
• β: 95.441 ± 0.003°
• γ: 90°
• Cell volume: 4353.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 3.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No