Information card for entry 2217713

Structure parameters

• Chemical name: μ-Hydroxido-bis[(2,2'-bipyridine)tricarbonylrhenium(I)] perrhenate
• Formula: C26 H17 N4 O11 Re3
• Calculated formula: C26 H17 N4 O11 Re3
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([OH][Re]2(C#[O])(C#[O])(C#[O])[n]3c(c4[n]2cccc4)cccc3)[n]2c(cccc2)c2[n]1cccc2.[Re](=O)(=O)(=O)[O-]
• Title of publication: μ-Hydroxido-bis[(2,2'-bipyridine)tricarbonylrhenium(I)] perrhenate
• Authors of publication: Ruth, Kai; Morawitz, Thorsten; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m496
• a: 9.0304 ± 0.0007 Å
• b: 11.0506 ± 0.0009 Å
• c: 15.5152 ± 0.0013 Å
• α: 96.488 ± 0.007°
• β: 94.768 ± 0.007°
• γ: 104.038 ± 0.006°
• Cell volume: 1482.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes