Information card for entry 4075006

Structure parameters

• Formula: C29 H19 N2 O5 Re
• Calculated formula: C29 H19 N2 O5 Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#[O])(C#[O])(C#[O])OC(=O)C(c1ccccc1)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: 10.38 ± 0.002 Å
• b: 10.971 ± 0.002 Å
• c: 11.236 ± 0.002 Å
• α: 93.73 ± 0.03°
• β: 95.36 ± 0.03°
• γ: 105.83 ± 0.03°
• Cell volume: 1220.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No