Information card for entry 4120596

Structure parameters

• Formula: C28 H46 Cl2 Fe N4 O6 P2
• Calculated formula: C28 H46 Cl2 Fe N4 O6 P2
• Title of publication: Anchoring a Molecular Iron Catalyst to Solar-Responsive WO3 Improves the Rate and Selectivity of Photoelectrochemical Water Oxidation.
• Authors of publication: Klepser, Benjamin M.; Bartlett, Bart M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1694 - 1697
• a: 15.8638 ± 0.0008 Å
• b: 11.7729 ± 0.0006 Å
• c: 18.0265 ± 0.0009 Å
• α: 90°
• β: 98.615 ± 0.001°
• γ: 90°
• Cell volume: 3328.7 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No