Information card for entry 4117948

Structure parameters

• Formula: C39 H11.31 B1.69 Cl3 F23.4 Fe N6 O4
• Calculated formula: C39 H11.2908 B1.7092 Cl3 F23.4184 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: 9.0623 ± 0.0004 Å
• b: 13.586 ± 0.0006 Å
• c: 18.751 ± 0.0009 Å
• α: 100.956 ± 0.002°
• β: 96.719 ± 0.003°
• γ: 94.164 ± 0.003°
• Cell volume: 2240.31 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 2.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No