Information card for entry 7029433

Structure parameters

• Formula: C30 H25 Br2 N3 O2 P Re
• Calculated formula: C30 H25 Br2 N3 O2 P Re
• SMILES: [Re]1([n]2c(C(=O)O1)cncc2)(=Nc1ccc(cc1)C)(Br)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.
• Authors of publication: Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5759 - 5776
• a: 10.3301 ± 0.001 Å
• b: 11.3982 ± 0.001 Å
• c: 13.293 ± 0.001 Å
• α: 92.707 ± 0.006°
• β: 104.825 ± 0.008°
• γ: 104.41°
• Cell volume: 1455.2 ± 0.2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No