Information card for entry 4314376

Structure parameters

• Formula: C22 H31 Cl4 N3 O Re
• Calculated formula: C22 H31 Cl4 N3 O Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(=Nc2ccc(cc2)Cl)N(C2CCCCCC2)C(=O)C=[N]1C1CCCCCC1
• Title of publication: Rhenium Chemistry of Diazabutadienes and Derived Iminoacetamides Spanning the Valence Domain II-VI. Synthesis, Characterization, and Metal-Promoted Regiospecific Imine Oxidation
• Authors of publication: Samir Das; Indranil Chakraborty; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6545 - 6555
• a: 11.257 ± 0.002 Å
• b: 12.922 ± 0.003 Å
• c: 18.295 ± 0.004 Å
• α: 90°
• β: 104.99 ± 0.03°
• γ: 90°
• Cell volume: 2570.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.0703
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No