Information card for entry 4110187

Structure parameters

• Formula: C52 H72 Cr2 N4
• Calculated formula: C52 H72 Cr2 N4
• SMILES: CC(c1cccc(c1N1C=CN(c2c(cccc2C(C)C)C(C)C)[Cr]2N(c3c(cccc3C(C)C)C(C)C)C=CN([Cr]12)c1c(cccc1C(C)C)C(C)C)C(C)C)C
• Title of publication: The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear Chromium Diazadiene Complex
• Authors of publication: Kevin A. Kreisel; Glenn P. A. Yap; Olga Dmitrenko; Clark R. Landis; Klaus H. Theopold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14162 - 14163
• a: 22.387 ± 0.008 Å
• b: 9.742 ± 0.003 Å
• c: 24.917 ± 0.007 Å
• α: 90°
• β: 112.718 ± 0.018°
• γ: 90°
• Cell volume: 5013 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No