Information card for entry 7027052

Structure parameters

• Formula: C30 H25 Cl3 N2 P Re
• Calculated formula: C30 H25 Cl3 N2 P Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2C=[N]1c1ccccc1
• Title of publication: Synthesis, structure and redox behaviour of facial [ReIIIL(PPh3)Cl3] and its stereoretentive conversion to [ReIVL′(PPh3)Cl3] via metal promoted aldimine → amide oxidation (L = pyridine-2-aldimine; L′ = pyridine-2-carboxamide)
• Authors of publication: Bhattacharyya, Sibaprasad; Banerjee, Sangeeta; Kumar Dirghangi, Bimal; Menon, Mahua; Chakravorty, Animesh
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 155
• a: 11.505 ± 0.006 Å
• b: 13.545 ± 0.005 Å
• c: 18.72 ± 0.011 Å
• α: 90°
• β: 97.66 ± 0.04°
• γ: 90°
• Cell volume: 2891 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No