Information card for entry 4066136

Structure parameters

• Formula: C68 H80 I N2 O3 Tb
• Calculated formula: C68 H80 I N2 O3 Tb
• SMILES: [Tb]12345678(I)([O]9CCCC9)([c]9([c]1([c]2([c]3([c]49Cc1ccc2n(c3ccccc3)c3ccccc3c2c1)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)Cc1ccc2n(c3ccccc3)c3ccccc3c2c1)C.O(CC)CC.O(CC)CC
• Title of publication: Photofunctionalization of a Pentamethylcyclopentadienyl Ligand with theN-Phenylcarbazolyl Group To Prepare a Highly Luminescent Tb3+Complex Having a Fast Radiation Rate
• Authors of publication: Yatabe, Takeshi; Nakai, Hidetaka; Nozaki, Koichi; Yamamura, Tomoo; Isobe, Kiyoshi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2390
• a: 8.6876 ± 0.0009 Å
• b: 17.4407 ± 0.0014 Å
• c: 20.9653 ± 0.0016 Å
• α: 66.995 ± 0.004°
• β: 88.645 ± 0.006°
• γ: 88.545 ± 0.006°
• Cell volume: 2922.7 ± 0.5 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No