Information card for entry 7116099

Structure parameters

• Formula: C37 H50 N3 O4 Tb
• Calculated formula: C37 H50 N3 O4 Tb
• SMILES: [Tb]12345(Oc6c(C[N]73CC[N]4(CC[N]5(CC7)Cc3c(O2)c(cc(c3)C)C)Cc2c(O1)c(cc(c2)C)C)cc(cc6C)C)[O]1CCCC1
• Title of publication: A highly luminescent and highly oxygen-sensitive Tb(III) complex with a tris-aryloxide functionalised 1,4,7-triazacyclononane ligand
• Authors of publication: Hidetaka Nakai; Takahiro Goto; Kazuhiro Kitagawa; Kyoshiro Nonaka; Takahiro Matsumoto; Seiji Ogo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15737
• a: 7.901 ± 0.006 Å
• b: 14.273 ± 0.01 Å
• c: 16.298 ± 0.01 Å
• α: 69.07 ± 0.03°
• β: 76.98 ± 0.04°
• γ: 85.52 ± 0.04°
• Cell volume: 1673 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0556
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No