Information card for entry 2210536

Structure parameters

• Chemical name: Tetraethylammonium di-μ-methoxo-μ-pyridin-2-olato-bis[tricarbonylrhenium(I)]
• Formula: C21 H30 N2 O9 Re2
• Calculated formula: C21 H30 N2 O9 Re2
• SMILES: [Re]12([O]([Re]([O]1C)(Oc1[n]2cccc1)(C#[O])(C#[O])C#[O])C)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium di-μ-methoxo-μ-pyridin-2-olato-bis[tricarbonylrhenium(I)]
• Authors of publication: Klausmeyer, Kevin K.; Beckles, Franklin R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2417 - m2418
• a: 9.3185 ± 0.0012 Å
• b: 25.148 ± 0.003 Å
• c: 11.7267 ± 0.0014 Å
• α: 90°
• β: 110.288 ± 0.003°
• γ: 90°
• Cell volume: 2577.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes