Information card for entry 4114537

Structure parameters

• Common name: holjs95
• Formula: C41 H59 Fe N3
• Calculated formula: C41 H59 Fe N3
• Title of publication: NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex
• Authors of publication: Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15752 - 15753
• a: 17.434 ± 0.0013 Å
• b: 12.2322 ± 0.0009 Å
• c: 18.0994 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3859.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No