Information card for entry 4301096

Structure parameters

• Formula: C28 H12 N2 O8 Re2
• Calculated formula: C28 H12 N2 O8 Re2
• SMILES: [Re]1([n]2c3c([n]4[Re](c5ccccc5c4c2c2ccccc12)(C#[O])(C#[O])(C#[O])C#[O])cccc3)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Stable and Highly Persistent Quinoxaline-Centered Metalloorganic Radical Anions: Preparation, Structural, Spectroscopic, and Computational Investigations
• Authors of publication: Sylvie Choua; Jean-Pierre Djukic; Jérôme Dalléry; André Bieber; Richard Welter; Jean-Paul Gisselbrecht; Philippe Turek; Louis Ricard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 149 - 163
• a: 14.693 ± 0.003 Å
• b: 13.087 ± 0.003 Å
• c: 13.326 ± 0.004 Å
• α: 90°
• β: 90.93 ± 0.012°
• γ: 90°
• Cell volume: 2562.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No