Information card for entry 4107774

Structure parameters

• Common name: holyy24
• Formula: C68 H105 Fe2 N5
• Calculated formula: C68 H105 Fe2 N5
• 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: 14.764 ± 0.002 Å
• b: 21.904 ± 0.003 Å
• c: 39.736 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12850 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No