Information card for entry 4305092

Structure parameters

• Formula: C63 H97.5 Cl4 Cr2 N4 O2.75
• Calculated formula: C56 H80 Cl4 Cr2 N4 O
• SMILES: [Cr]123([Cl][Cr]4([Cl]1)([Cl]2)(Cl)[N](c1c(cccc1C(C)C)C(C)C)=CC=[N]4c1c(cccc1C(C)C)C(C)C)([N](c1c(cccc1C(C)C)C(C)C)=CC=[N]3c1c(cccc1C(C)C)C(C)C)[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: 15.3679 ± 0.0015 Å
• b: 40.969 ± 0.004 Å
• c: 22.124 ± 0.002 Å
• α: 90°
• β: 108.121 ± 0.002°
• γ: 90°
• Cell volume: 13239 ± 2 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: 0.1219
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No