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Information card for entry 7038931
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Coordinates | 7038931.cif |
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Original paper (by DOI) | HTML |
Common name | Sc3N@D5h-C80-W(CO)3(dppe) |
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Chemical name | Sc3N@D5h-C80-W(CO)3(dppe) |
Formula | C110 H24 N O3 P2 S2 Sc3 W |
Calculated formula | C110 H24 N O3 P2 S2 Sc3 W |
Title of publication | W(CO)3(Ph2PC2H4PPh2)(η(2)-Sc3N@Ih-C80/Sc3N@D5h-C80): regioselective synthesis and crystallographic characterization of air-stable mononuclear complexes of endohedral fullerenes. |
Authors of publication | Bao, Lipiao; Liu, Bin; Li, Xiaofang; Pan, Changwang; Xie, Yunpeng; Lu, Xing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11606 - 11610 |
a | 11.2765 ± 0.0005 Å |
b | 13.9075 ± 0.0006 Å |
c | 20.3011 ± 0.0009 Å |
α | 90.536 ± 0.001° |
β | 98.078 ± 0.001° |
γ | 97.157 ± 0.002° |
Cell volume | 3126.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.2335 |
Weighted residual factors for all reflections included in the refinement | 0.237 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.82653 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038931.html
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Users of the data should acknowledge the original authors of the
structural data.