Information card for entry 4300030

Structure parameters

• Formula: C29 H23 Cl4 N3 O P Re
• Calculated formula: C29 H23 Cl4 N3 O P Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([O]=P(c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(N=[N]1c1ccc(cc1)Cl)cccc2
• Title of publication: Chemistry of the Rhenium-Azopyridine Family: An Oxo Parent and Derivatives Thereof Including a Novel Oxo-Imido Dimer
• Authors of publication: Sangeeta Banerjee; Sibaprasad Bhattacharyya; Bimal Kumar Dirghangi; Mahua Menon; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6 - 13
• a: 11.264 ± 0.007 Å
• b: 15.221 ± 0.009 Å
• c: 17.628 ± 0.009 Å
• α: 90°
• β: 94.21 ± 0.06°
• γ: 90°
• Cell volume: 3014 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.1355
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No