Information card for entry 7025844

Structure parameters

• Common name: Re hydroxy bipy Ph
• Chemical name: Re hydroxy bipy Ph
• Formula: C19 H12 Br N2 O4 Re
• Calculated formula: C19 H12 Br N2 O4 Re
• SMILES: [Re]1(Br)([n]2c(cc(O)cc2c2[n]1cccc2)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Fluxionality and lability in rhenium 4'-hydroxyterpyridine complexes: evidence for an associative mechanism and correlated fluxionality and lability.
• Authors of publication: Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Arthur, Richard J.; Kariuki, Benson M.; Jenkins, Robert L.; Coogan, Michael P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7493 - 7503
• a: 6.7559 ± 0.0002 Å
• b: 30.9785 ± 0.0009 Å
• c: 10.504 ± 0.0003 Å
• α: 90°
• β: 106.771 ± 0.001°
• γ: 90°
• Cell volume: 2104.85 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No