Information card for entry 7025843

Structure parameters

• Common name: Re terpy Cl
• Chemical name: Re terpy Cl
• Formula: C18 H11 Cl N3 O4 Re
• Calculated formula: C18 H11 Cl N3 O4 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)c2[n]1c(c1ncccc1)cc(c2)O)(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: 6.5227 ± 0.0002 Å
• b: 10.489 ± 0.0003 Å
• c: 13.3433 ± 0.0004 Å
• α: 100.691 ± 0.001°
• β: 92.611 ± 0.001°
• γ: 100.253 ± 0.001°
• Cell volume: 879.81 ± 0.05 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: 0.0615
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No