Information card for entry 4103689

Structure parameters

• Formula: C49 H66 Cr Fe O2
• Calculated formula: C49 H66 Cr Fe O2
• Title of publication: Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds
• Authors of publication: Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17399 - 17401
• a: 28.5365 ± 0.0006 Å
• b: 18.6658 ± 0.0004 Å
• c: 18.8017 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10014.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No