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Information card for entry 4002881
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Coordinates | 4002881.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Gd@C82(C4H8NO)7 |
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Formula | C110 H56 Gd N7 O7 |
Calculated formula | C110 H56 Gd N7 O7 |
Title of publication | Regioselective Polyamination of Gd@C2v(9)-C82 and Non-High Performance Liquid Chromatography Rapid Separation of Gd@C82(morpholine)7 |
Authors of publication | Huang, Huan; Zhang, Lele; Gao, Xuejiao J.; Guo, Xihong; Cui, Rongli; Xu, Binggang; Dong, Jinquan; Li, Yanbang; Gan, Liangbing; Chang, Fei; Gao, Xingfa; Sun, Baoyun |
Journal of publication | Chemistry of Materials |
Year of publication | 2017 |
Journal volume | 30 |
Journal issue | 1 |
Pages of publication | 64 |
a | 19.181 ± 0.0018 Å |
b | 18.443 ± 0.0017 Å |
c | 22.97 ± 0.002 Å |
α | 90° |
β | 94.759 ± 0.002° |
γ | 90° |
Cell volume | 8097.7 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0899 |
Residual factor for significantly intense reflections | 0.0762 |
Weighted residual factors for significantly intense reflections | 0.2293 |
Weighted residual factors for all reflections included in the refinement | 0.2395 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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