Information card for entry 7025842

Structure parameters

• Common name: Re hydroxy terpy Br
• Chemical name: Re hysroxy terpy Br
• Formula: C18 H11 Br N3 O4 Re
• Calculated formula: C18 H11 Br N3 O4 Re
• SMILES: c1cccc2c3cc(cc(c4ccccn4)[n]3[Re](C#[O])(C#[O])(C#[O])([n]12)Br)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: 7.831 ± 0.0002 Å
• b: 8.858 ± 0.0002 Å
• c: 13.39 ± 0.0003 Å
• α: 98.997 ± 0.001°
• β: 92.27 ± 0.001°
• γ: 102.594 ± 0.001°
• Cell volume: 892.7 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No