Information card for entry 4325679

Structure parameters

• Formula: C88 H94.5 Fe2 K N9.5 O7 P
• Calculated formula: C88 H94.5 Fe2 K N9.5 O7 P
• Title of publication: Oxygen Activation and Intramolecular C-H Bond Activation by an Amidate-Bridged Diiron(II) Complex
• Authors of publication: Matthew B. Jones; Kenneth I. Hardcastle; Karl S. Hagen; Cora E. MacBeth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6402 - 6404
• a: 13.7113 ± 0.0003 Å
• b: 21.1287 ± 0.0004 Å
• c: 28.9991 ± 0.0007 Å
• α: 90°
• β: 93.536 ± 0.001°
• γ: 90°
• Cell volume: 8385.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No