Information card for entry 4308553

Structure parameters

• Formula: C19 H15 Cl4 N4 Re
• Calculated formula: C19 H15 Cl4 N4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([NH]=C(N=[N]1c1ccccc1)c1ccc(Cl)cc1)=Nc1ccccc1
• Title of publication: Rhenium Chemistry of Azooximes: Oxygen Atom Transfer, Azoimine Chelation, and Imine-Oxime Contrast
• Authors of publication: Indranil Chakraborty; Bikash Kumar Panda; Jaydip Gangopadhyay; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1054 - 1060
• a: 12.502 ± 0.007 Å
• b: 10.023 ± 0.005 Å
• c: 17.87 ± 0.009 Å
• α: 90°
• β: 105.13 ± 0.05°
• γ: 90°
• Cell volume: 2162 ± 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: 0.0971
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections: 0.1847
• Weighted residual factors for significantly intense reflections: 0.1496
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No