Information card for entry 4308554

Structure parameters

• Formula: C32 H31 Cl2 N3 O2 P Re
• Calculated formula: C32 H29 Cl2 N3 O2 P Re
• SMILES: [Re]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2C(=N1=O)C)=Nc1ccc(cc1)C.O
• 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: 10.785 ± 0.002 Å
• b: 10.884 ± 0.002 Å
• c: 14.212 ± 0.003 Å
• α: 78.63 ± 0.03°
• β: 78.53 ± 0.03°
• γ: 74.49 ± 0.03°
• Cell volume: 1557 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0666
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No