Information card for entry 7106023

Structure parameters

• Formula: C92 H92 Cl2 Lu2 N8
• Calculated formula: C92 H92 Cl2 Lu2 N8
• SMILES: [Lu]123([Cl][Lu]45([N]([C@@H](C)c6ccccc6)=C(c6ccccc6)N4[C@@H](C)c4ccccc4)([N]([C@@H](C)c4ccccc4)=C(c4ccccc4)N5[C@@H](C)c4ccccc4)[Cl]3)([N]([C@@H](C)c3ccccc3)=C(c3ccccc3)N1[C@@H](C)c1ccccc1)[N]([C@@H](C)c1ccccc1)=C(c1ccccc1)N2[C@@H](C)c1ccccc1
• Title of publication: Chiral Lutetium Benzamidinate Complexes
• Authors of publication: Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2574
• a: 24.629 ± 0.003 Å
• b: 24.629 ± 0.003 Å
• c: 24.629 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14940 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No