Information card for entry 4128077

Structure parameters

• Formula: C48 H60 N12 O35 P6 Yb2
• Calculated formula: C48 H60 N12 O35 P6 Yb2
• Title of publication: Molecular Upconversion in Water in Heteropolynuclear Supramolecular Tb/Yb Assemblies.
• Authors of publication: Nonat, Aline; Bahamyirou, Sylvana; Lecointre, Alexandre; Przybilla, Frédéric; Mély, Yves; Platas-Iglesias, Carlos; Camerel, Franck; Jeannin, Olivier; Charbonnière, Loïc J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 4
• Pages of publication: 1568 - 1576
• a: 27.533 ± 0.002 Å
• b: 11.1178 ± 0.0011 Å
• c: 24.5325 ± 0.0019 Å
• α: 90°
• β: 113.72 ± 0.002°
• γ: 90°
• Cell volume: 6875.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No