Information card for entry 4305315

Structure parameters

• Formula: C38 H44 Cr N4
• Calculated formula: C38 H44 Cr N4
• Title of publication: (α-Diimine)chromium Complexes: Molecular and Electronic Structures; A Combined Experimental and Density Functional Theoretical Study
• Authors of publication: Meenakshi Ghosh; Stephen Sproules; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5963 - 5970
• a: 10.7469 ± 0.0006 Å
• b: 13.0959 ± 0.0006 Å
• c: 23.2424 ± 0.0012 Å
• α: 90°
• β: 99.348 ± 0.003°
• γ: 90°
• Cell volume: 3227.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No