Information card for entry 7005085

Structure parameters

• Formula: C41 H22 Cl F9 Gd N4 O9 Re S3
• Calculated formula: C41 H22 Cl F9 Gd N4 O9 Re S3
• SMILES: [Gd]1234([O]=C(C(F)(F)F)C=C(O1)c1cccs1)(OC(=CC(=[O]2)c1cccs1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1cccs1)[n]1c(cccc1)c1[n]4cc[n]2[Re](Cl)([n]3c(c12)cccc3)(C#[O])(C#[O])C#[O]
• 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: 8.849 ± 0.004 Å
• b: 38.843 ± 0.011 Å
• c: 13.404 ± 0.005 Å
• α: 90°
• β: 101.26 ± 0.04°
• γ: 90°
• Cell volume: 4519 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0782
• 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: No