Information card for entry 7029432

Structure parameters

• Formula: C30 H25 Cl2 N3 O2 P Re
• Calculated formula: C30 H25 Cl2 N3 O2 P Re
• SMILES: [Re]1([n]2c(C(=O)O1)cncc2)(=Nc1ccc(cc1)C)(Cl)(Cl)[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: 9.7169 ± 0.0005 Å
• b: 14.4692 ± 0.0009 Å
• c: 22.3218 ± 0.0012 Å
• α: 97.987 ± 0.005°
• β: 90.759 ± 0.005°
• γ: 105.589 ± 0.005°
• Cell volume: 2989.4 ± 0.3 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 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: 0.0785
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No