Information card for entry 7005083

Structure parameters

• Formula: C42 H21 Cl F18 Gd N4 O11 Re
• Calculated formula: C42 H21 Cl F18 Gd N4 O11 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2)c2[n]1c1c(nc2c2ncccc2)cccc1)(C#[O])(C#[O])C#[O].[Gd]123([OH2])([OH2])([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O3)C(F)(F)F)C(F)(F)F.c1ccccc1
• 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: 9.525 ± 0.002 Å
• b: 13.034 ± 0.003 Å
• c: 23.796 ± 0.006 Å
• α: 105.83 ± 0.03°
• β: 90.746 ± 0.019°
• γ: 108.622 ± 0.017°
• Cell volume: 2677.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No