Information card for entry 4314375

Structure parameters

• Formula: C20 H17 Cl3 N3 Re
• Calculated formula: C20 H17 Cl3 N3 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([N](c2ccccc2)=CC=[N]1c1ccccc1)=Nc1ccccc1
• 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: 14.991 ± 0.011 Å
• b: 7.139 ± 0.003 Å
• c: 19.717 ± 0.011 Å
• α: 90°
• β: 104.72 ± 0.05°
• γ: 90°
• Cell volume: 2041 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.0903
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No