Information card for entry 7005084

Structure parameters

• Formula: C18 H11 Cl4 N4 O3 Re
• Calculated formula: C18 H11 Cl4 N4 O3 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)c2[n]1ccnc2c1ncccc1)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Sensitised near-infrared luminescence from lanthanide(III) centres using Re(I) and Pt(II) diimine complexes as energy donors in d-f dinuclear complexes based on 2,3-bis(2-pyridyl)pyrazine.
• Authors of publication: Kennedy, Frazer; Shavaleev, Nail M.; Koullourou, Thelma; Bell, Zoë R; Jeffery, John C.; Faulkner, Stephen; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1492 - 1499
• a: 6.4657 ± 0.0016 Å
• b: 19.437 ± 0.005 Å
• c: 17.053 ± 0.004 Å
• α: 90°
• β: 94.969 ± 0.005°
• γ: 90°
• Cell volume: 2135.1 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No