Information card for entry 4307690

Structure parameters

• Formula: C25 H16 Cl2 N7 O4 Re
• Calculated formula: C25 H16 Cl2 N7 O4 Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#[O])(C#[O])(C#[O])C(C(ON=C(C)C)(C#N)C#N)(C#N)C#N.C(Cl)Cl
• 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: 7.7302 ± 0.0015 Å
• b: 11.292 ± 0.002 Å
• c: 16.019 ± 0.003 Å
• α: 88.46 ± 0.03°
• β: 77.65 ± 0.03°
• γ: 76.79 ± 0.03°
• Cell volume: 1329.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation type: CuK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No