Information card for entry 4066137

Structure parameters

• Formula: C68 H80 Gd I N2 O3
• Calculated formula: C68 H80 Gd I N2 O3
• SMILES: [Gd]12345678(I)([O]9CCCC9)([c]9([c]1([c]2([c]3([c]49Cc1ccc2n(c3ccccc3)c3ccccc3c2c1)C)C)C)C)[c]1([c]5([c]6([c]7([c]81Cc1ccc2n(c3ccccc3)c3ccccc3c2c1)C)C)C)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: 8.6986 ± 0.0013 Å
• b: 17.4586 ± 0.0018 Å
• c: 21.033 ± 0.002 Å
• α: 67.005 ± 0.007°
• β: 88.451 ± 0.012°
• γ: 88.659 ± 0.012°
• Cell volume: 2939 ± 0.6 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: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No