Information card for entry 4102664

Structure parameters

• Formula: C55 H42 Cl4 Fe N5 O6 P2
• Calculated formula: C55 H42 Cl4 Fe N5 O6 P2
• Title of publication: Designing Green Oxidation Catalysts for Purifying Environmental Waters
• Authors of publication: W. Chadwick Ellis; Camly T. Tran; Riddhi Roy; Marte Rusten; Andreas Fischer; Alexander D. Ryabov; Bruce Blumberg; Terrence J. Collins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9774 - 9781
• a: 10.7084 ± 0.0009 Å
• b: 16.545 ± 0.002 Å
• c: 16.912 ± 0.002 Å
• α: 116.991 ± 0.008°
• β: 99.824 ± 0.009°
• γ: 94.007 ± 0.009°
• Cell volume: 2593.5 ± 0.5 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No