Information card for entry 1551740

Structure parameters

• Chemical name: (tris(2-(3-methyl-2-oxy-benzylideneamino)ethyl)amine)terbium(III)
• Formula: C30 H33 N4 O3 Tb
• Calculated formula: C30 H33 N4 O3 Tb
• SMILES: C1C[N]2=Cc3c(c(ccc3)C)O[Tb]34562[N]1(CC[N]3=Cc1c(c(ccc1)C)O5)CC[N]4=Cc1c(c(ccc1)C)O6
• Title of publication: Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine
• Authors of publication: NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 9
• a: 12.2874 ± 0.0004 Å
• b: 12.2874 ± 0.0004 Å
• c: 10.8085 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1413.24 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No