Information card for entry 4302953

Structure parameters

• Formula: C66 H35 Cl4 N9 Na O8 Yb
• Calculated formula: C66 H35 Cl4 N9 Na O8 Yb
• SMILES: [Yb]12345([O](c6cccc7c6[n]8c(cc7)c6oc7cc(Cl)ccc7[n]76)[Na]6789[O]1c1cccc7c1[n]9c(cc7)c1oc7cc(Cl)ccc7[n]61)(Oc1cccc6c1[n]2c(cc6)c1oc2cc(Cl)ccc2[n]41)Oc1c2[n]5c(ccc2ccc1)c1oc2cc(Cl)ccc2[n]13.CC#N
• Title of publication: Surprisingly Bright Near-Infrared Luminescence and Short Radiative Lifetimes of Ytterbium in Hetero-Binuclear Yb-Na Chelates
• Authors of publication: Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy; Jean-Claude G. Bünzli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7937 - 7946
• a: 21.762 ± 0.006 Å
• b: 12.2197 ± 0.0018 Å
• c: 24.255 ± 0.006 Å
• α: 90°
• β: 101.89 ± 0.017°
• γ: 90°
• Cell volume: 6312 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No