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Information card for entry 4106119
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Coordinates | 4106119.cif |
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Original paper (by DOI) | HTML |
Common name | La2@C80(CClPh) |
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Chemical name | La2@C80(CClPh) |
Formula | C93 H9 Cl3 La2 |
Calculated formula | C93 H9 Cl3 La2 |
Title of publication | Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance |
Authors of publication | Midori O. Ishitsuka; Shogo Sano; Haruka Enoki; Satoru Sato; Hidefumi Nikawa; Takahiro Tsuchiya; Zdenek Slanina; Naomi Mizorogi; Michael T. H. Liu; Takeshi Akasaka; Shigeru Nagase |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7128 - 7134 |
a | 10.9639 ± 0.0005 Å |
b | 20.6081 ± 0.001 Å |
c | 21.6433 ± 0.0013 Å |
α | 90° |
β | 101.468 ± 0.003° |
γ | 90° |
Cell volume | 4792.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1626 |
Residual factor for significantly intense reflections | 0.1299 |
Weighted residual factors for significantly intense reflections | 0.3638 |
Weighted residual factors for all reflections included in the refinement | 0.3825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.9983 Å |
Diffraction radiation type | synchrotron |
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/4106119.html
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