Information card for entry 4107780

Structure parameters

• Common name: holyy23
• Formula: C73.8 H99.8 Cl0.2 Fe2 N4 O3.6
• Calculated formula: C73.802 H99.802 Cl0.198 Fe2 N4 O3.604
• 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: 16.222 ± 0.002 Å
• b: 19.321 ± 0.002 Å
• c: 13.3145 ± 0.0016 Å
• α: 90°
• β: 124.815 ± 0.002°
• γ: 90°
• Cell volume: 3426.1 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No