Information card for entry 2223980

Structure parameters

• Chemical name: Tetraethylammonium tricarbonylchlorido(pyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)rhenate(I)
• Formula: C16 H23 Cl N3 O5 Re
• Calculated formula: C16 H23 Cl N3 O5 Re
• SMILES: [Re]1(Cl)(OC(=O)c2[n]1ccnc2)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium tricarbonylchlorido(pyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)rhenate(I)
• Authors of publication: Suthiram, Janine; Mhlaba, Kanyisa; Zeevaart, Jan Rijn; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1395
• a: 7.927 ± 0.005 Å
• b: 22.278 ± 0.005 Å
• c: 10.903 ± 0.005 Å
• α: 90°
• β: 90.506 ± 0.005°
• γ: 90°
• Cell volume: 1925.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes