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Information card for entry 4106986
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Coordinates | 4106986.cif |
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Original paper (by DOI) | HTML |
Common name | Sm2@C88.Ni(OEP).2toluene D2(No. 35) |
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Formula | C138 H60 N4 Ni Sm2 |
Calculated formula | C138.88 H60 N4 Ni Sm2 |
Title of publication | Large Endohedral Fullerenes Containing Two Metal Ions, Sm2@D2(35)-C88, Sm2@C1(21)-C90, and Sm2@D3(85)-C92, and Their Relationship to Endohedral Fullerenes Containing Two Gadolinium Ions |
Authors of publication | Hua Yang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Hongyu Zhen; Zhimin Wang; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16911 - 16919 |
a | 25.108 ± 0.005 Å |
b | 15.372 ± 0.003 Å |
c | 20.633 ± 0.004 Å |
α | 90° |
β | 94.469 ± 0.002° |
γ | 90° |
Cell volume | 7939 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1661 |
Weighted residual factors for all reflections included in the refinement | 0.1709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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