Information card for entry 7109863

Structure parameters

• Formula: C66 H68 N10 O16 Yb2
• Calculated formula: C66 H68 N10 O16 Yb2
• SMILES: [Yb]1234([N](=Cc5c(O2)cccc5)CC[N]1=Cc1ccccc1O3)(ON(=[O]4)=O)([OH]c1ccccc1/C=N/CC/N=C/c1ccccc1[OH][Yb]123([N](=Cc4c(O2)cccc4)CC[N]1=Cc1ccccc1O3)([OH]c1ccccc1/C=N/CC/N=C/c1ccccc1O)[OH]C)[OH]C.N(=O)(=O)[O-]
• Title of publication: Anion dependent self-assembly of a linear hexanuclear Yb(III) salen complex with enhanced near-infrared (NIR) luminescence properties
• Authors of publication: Xiaoping Yang; Michael M. Oye; Richard A. Jones; Shaoming Huang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9579
• a: 22.211 ± 0.004 Å
• b: 10.184 ± 0.002 Å
• c: 29.121 ± 0.006 Å
• α: 90°
• β: 98.33 ± 0.03°
• γ: 90°
• Cell volume: 6518 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No