Information card for entry 7027053

Structure parameters

• Formula: C30 H25 Cl4 N2 O2 P Re
• Calculated formula: C30 H25 Cl4 N2 O2 P Re
• SMILES: [Re]1([n]2ccccc2C(=O)N1c1ccc(Cl)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl.O
• 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: 9.994 ± 0.006 Å
• b: 11.617 ± 0.006 Å
• c: 15.135 ± 0.009 Å
• α: 76.26 ± 0.04°
• β: 88.11 ± 0.05°
• γ: 67.4 ± 0.04°
• Cell volume: 1572.5 ± 1.7 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: 0.062
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1554
• Weighted residual factors for significantly intense reflections: 0.1319
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No