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Information card for entry 7115496
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Coordinates | 7115496.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Pr@C82-Ad |
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Chemical name | PrC82Ad |
Formula | C94.5 H14 Pr S5 |
Calculated formula | C94.5 H14 Pr0.99 S5 |
Title of publication | Regioselective synthesis and molecular structure of the first derivative of praseodymium-containing metallofullerenes |
Authors of publication | Qin Zhou; Hui Li; Yongfu Lian; Mitsuaki Suzuki; Lipiao Bao; Wenting Cai,c; Weiwei Wang; Shigeru Nagase; Xing Lu; Takeshi Akasaka |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9876 |
a | 11.325 ± 0.002 Å |
b | 21.95 ± 0.004 Å |
c | 20.931 ± 0.004 Å |
α | 90° |
β | 101.373 ± 0.002° |
γ | 90° |
Cell volume | 5100.9 ± 1.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1398 |
Residual factor for significantly intense reflections | 0.1087 |
Weighted residual factors for significantly intense reflections | 0.2518 |
Weighted residual factors for all reflections included in the refinement | 0.27 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115496.html
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