Information card for entry 4075005

Structure parameters

• Formula: C25 H23 N2 O5 Re
• Calculated formula: C25 H23 N2 O5 Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])(C#[O])(C#[O])OC(=O)[C@@H](CC)c1ccccc1
• Title of publication: Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§
• Authors of publication: Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1717
• a: 14.416 ± 0.003 Å
• b: 17.067 ± 0.003 Å
• c: 9.793 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No