Information card for entry 4307692

Structure parameters

• Formula: C19 H16 N3 O8 Re
• Calculated formula: C19 H16 N3 O8 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])[NH2]C(=C([O-])C(=O)OC)C(=O)OC
• 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: 8.374 ± 0.003 Å
• b: 10.639 ± 0.004 Å
• c: 13.446 ± 0.005 Å
• α: 103.459 ± 0.007°
• β: 106.804 ± 0.007°
• γ: 105.346 ± 0.007°
• Cell volume: 1042 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No