Information card for entry 4307687

Structure parameters

• Formula: C24 H21 N4 O4 Re S
• Calculated formula: C24 H21 N4 O4 Re S
• SMILES: [Re]1(SC(=N\c2ccc(cc2)C)/ON=C(C)C)([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structure, and Reactivity of Mononuclear Re(I) Oximato Complexes
• Authors of publication: Luciano Cuesta; Miguel A. Huertos; Dolores Morales; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Amador Menéndez-Velázquez; Santiago García-Granda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2836 - 2845
• a: 6.559 ± 0.005 Å
• b: 18.448 ± 0.014 Å
• c: 22.006 ± 0.017 Å
• α: 90°
• β: 90.758 ± 0.014°
• γ: 90°
• Cell volume: 2663 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No