Information card for entry 4308552

Structure parameters

• Formula: C49 H40 Cl F6 N3 O P3 Re
• Calculated formula: C49 H40 Cl F6 N3 O P3 Re
• SMILES: [Re]1([N](=NC(=N1)c1ccccc1)c1ccccc1)(Cl)(=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.928 ± 0.004 Å
• b: 12.915 ± 0.006 Å
• c: 17.026 ± 0.01 Å
• α: 100.88 ± 0.04°
• β: 93.53 ± 0.04°
• γ: 99.78 ± 0.03°
• Cell volume: 2315 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No