Information card for entry 4119797

Structure parameters

• Formula: C309 H367 Cl5 N23 O86 Tb15
• Calculated formula: C309 H361 Cl5.01 N23 O86 Tb15
• Title of publication: Luminescent Cell-Penetrating Pentadecanuclear Lanthanide Clusters
• Authors of publication: Dominique T. Thielemann; Anna T. Wagner; Esther Rösch; Dominik K. Kölmel; Joachim G. Heck; Birgit Rudat; Marco Neumaier; Claus Feldmann; Ute Schepers; Stefan Bräse; Peter W. Roesky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7454 - 7457
• a: 25.264 ± 0.005 Å
• b: 47.896 ± 0.01 Å
• c: 31.413 ± 0.006 Å
• α: 90°
• β: 102.01 ± 0.03°
• γ: 90°
• Cell volume: 37179 ± 13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1648
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No