Information card for entry 4314374

Structure parameters

• Formula: C16 H16 Cl3 N2 O Re
• Calculated formula: C16 H16 Cl3 N2 O Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([N](c2ccccc2)=C(C(=[N]1c1ccccc1)C)C)=O
• 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: 20.196 ± 0.008 Å
• b: 8.227 ± 0.006 Å
• c: 20.88 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3469 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.241
• Weighted residual factors for significantly intense reflections: 0.1648
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No