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Information card for entry 4110757
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Coordinates | 4110757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C117 H46 N Sc3 Si2 |
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Calculated formula | C117 H46 N Sc3 Si2 |
Title of publication | Characterization of the Bis-Silylated Endofullerene Sc3N@C80 |
Authors of publication | Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 9919 - 9925 |
a | 20.4678 ± 0.0014 Å |
b | 20.4678 ± 0.0014 Å |
c | 15.804 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6620.8 ± 1.1 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 5 |
Space group number | 80 |
Hermann-Mauguin space group symbol | I 41 |
Hall space group symbol | I 4bw |
Residual factor for all reflections | 0.1501 |
Residual factor for significantly intense reflections | 0.1474 |
Weighted residual factors for significantly intense reflections | 0.3787 |
Weighted residual factors for all reflections included in the refinement | 0.3804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4110757.html
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Users of the data should acknowledge the original authors of the
structural data.