Information card for entry 4305094

Structure parameters

• Formula: C26 H36 Cl2 Cr N2 O2
• Calculated formula: C26 H36 Cl2 Cr N2 O2
• SMILES: [Cr]1(Cl)(Cl)([N](c2c(cccc2C)C)=CC=[N]1c1c(cccc1C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis, Characterization, and Electronic Structure of Diimine Complexes of Chromium
• Authors of publication: Kevin A. Kreisel; Glenn P. A. Yap; Klaus H. Theopold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5293 - 5303
• a: 9.533 ± 0.002 Å
• b: 22.328 ± 0.005 Å
• c: 12.676 ± 0.003 Å
• α: 90°
• β: 105.701 ± 0.003°
• γ: 90°
• Cell volume: 2597.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No