Information card for entry 4305098

Structure parameters

• Formula: C38 H66 Cl2 Cr N3 O
• Calculated formula: C38 H66 Cl2 Cr N3 O
• SMILES: [Cr]1([N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl.[N+](CC)(CC)(CC)CC.O(CC)CC
• 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: 11.389 ± 0.008 Å
• b: 17.618 ± 0.012 Å
• c: 22.492 ± 0.016 Å
• α: 70.338 ± 0.011°
• β: 81.626 ± 0.012°
• γ: 77.203 ± 0.012°
• Cell volume: 4132 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No