Information card for entry 4302955

Structure parameters

• Formula: C64 H32 Cl4 N8 Na O8 Yb
• Calculated formula: C64 H32 Cl4 N8 Na O8 Yb
• SMILES: c12cccc3c2[n]2[Yb]45([n]6c7c(O5)cccc7ccc6c5[n]4c4c(o5)ccc(Cl)c4)(O1)([O]1c4cccc5c4[n]([Na]16789)c(cc5)c1nc4c([o]16)ccc(Cl)c4)([O]7c1cccc4ccc(c5[n]8c6cc(Cl)ccc6o5)[n]9c14)[n]1c(c2cc3)oc2ccc(Cl)cc12
• 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: 22.139 ± 0.009 Å
• b: 19.226 ± 0.006 Å
• c: 13.166 ± 0.003 Å
• α: 90°
• β: 100.95 ± 0.03°
• γ: 90°
• Cell volume: 5502 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No