Information card for entry 2219666

Structure parameters

• Chemical name: Aquatricarbonyl(4-carboxypyridine-2-carboxylato- κ^2^<i>N</i>,<i>O</i>^2^)rhenium(I)
• Formula: C10 H6 N O8 Re
• Calculated formula: C10 H6 N O8 Re
• SMILES: O1C(=O)c2cc(cc[n]2[Re]1(C#[O])(C#[O])(C#[O])[OH2])C(=O)O
• Title of publication: Aquatricarbonyl(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)rhenium(I)
• Authors of publication: Schutte, Marietjie; Visser, Hendrik G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1226 - m1227
• a: 9.5024 ± 0.0011 Å
• b: 12.4254 ± 0.0016 Å
• c: 12.4889 ± 0.0016 Å
• α: 101.799 ± 0.004°
• β: 107.943 ± 0.004°
• γ: 111.346 ± 0.004°
• Cell volume: 1220.4 ± 0.3 ų
• Cell temperature: 100 ± 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 significantly intense reflections: 0.0265
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes