Information card for entry 4075004

Structure parameters

• Formula: C19 H15 N2 O7 Re
• Calculated formula: C19 H15 N2 O7 Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])(C#[O])(C#[O])OC(=O)/C=C\C(=O)O
• 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: 6.2719 ± 0.0013 Å
• b: 9.939 ± 0.002 Å
• c: 16.062 ± 0.003 Å
• α: 98.9 ± 0.03°
• β: 96.82 ± 0.03°
• γ: 99.61 ± 0.03°
• Cell volume: 964.5 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No