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Information card for entry 4066136
Preview
Coordinates | 4066136.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H80 I N2 O3 Tb |
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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 Å3 |
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 |
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