Information card for entry 2204089

Structure parameters

• Formula: C19 H13 F3 N3 O6 Re S
• Calculated formula: C19 H13 F3 N3 O6 Re S
• SMILES: [Re]1([n]2ccccc2)([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])C#[O].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: <i>fac</i>-Bipyridyltricarbonyl(pyridine)rhenium(I) trifluoromethanesulfonate
• Authors of publication: Kayode Oshin; Arthur M. Landis; Bradley W. Smucker; David M. Eichhorn; D. Paul Rillema
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1126 - m1127
• a: 12.178 ± 0.002 Å
• b: 14.414 ± 0.003 Å
• c: 23.357 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4099.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes