Information card for entry 4107781

Structure parameters

• Common name: holas17
• Formula: C72 H108 Fe2 N4 O4
• Calculated formula: C72 H108 Fe2 N4 O4
• Title of publication: The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes
• Authors of publication: Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6624 - 6638
• a: 16.101 ± 0.003 Å
• b: 16.526 ± 0.003 Å
• c: 25.199 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6705 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No