Information card for entry 7215120

Structure parameters

• Formula: C42 H32 N11 O6 Yb
• Calculated formula: C42 H32 N11 O6 Yb
• SMILES: [Yb]1234([n]5cccc6ccc7ccc[n]1c7c56)(Oc1n(nc(c1N=[O]2)C)c1ccccc1)(Oc1n(nc(c1N=[O]3)C)c1ccccc1)Oc1n(nc(c1N=[O]4)C)c1ccccc1
• Title of publication: NIR emitting ytterbium chelates for colourless luminescent solar concentrators.
• Authors of publication: Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 6452 - 6455
• a: 10.102 ± 0.0003 Å
• b: 12.5751 ± 0.0004 Å
• c: 16.8441 ± 0.0006 Å
• α: 71.39 ± 0.003°
• β: 75.122 ± 0.004°
• γ: 79.674 ± 0.005°
• Cell volume: 1948.81 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7207892
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No