Information card for entry 4107779

Structure parameters

• Common name: holyy25
• Formula: C46 H61 Fe N4
• Calculated formula: C46 H61 Fe N4
• 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: 9.7911 ± 0.0011 Å
• b: 20.071 ± 0.002 Å
• c: 10.8467 ± 0.0012 Å
• α: 90°
• β: 100.282 ± 0.002°
• γ: 90°
• Cell volume: 2097.3 ± 0.4 ų
• Cell temperature: 223 ± 0.2 K
• Ambient diffraction temperature: 223 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No