Information card for entry 4305093

Structure parameters

• Formula: C28 H40 Cl2 Cr N2 O2
• Calculated formula: C28 H40 Cl2 Cr N2 O2
• SMILES: [Cr]1([N](c2c(cccc2C)C)=C(C(=[N]1c1c(cccc1C)C)C)C)([O]1CCCC1)([O]1CCCC1)(Cl)Cl
• 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: 8.231 ± 0.005 Å
• b: 11.436 ± 0.007 Å
• c: 15.594 ± 0.009 Å
• α: 77.112 ± 0.008°
• β: 78.381 ± 0.009°
• γ: 82.698 ± 0.008°
• Cell volume: 1396.4 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No