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Information card for entry 4517249
Preview
Coordinates | 4517249.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | sesquikis(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) C60 fullerene methanol solvate |
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Formula | C349 H58 O25 P6 |
Calculated formula | C349.24 H58 O25 P6 |
Title of publication | Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with Phosphangulene Chalcogenides |
Authors of publication | Alice Heskia; Thierry Maris; James D. Wuest |
Journal of publication | Crystal growth and Design |
Year of publication | 2019 |
Journal volume | 19 |
Pages of publication | 5418 |
a | 18.3952 ± 0.0009 Å |
b | 13.3563 ± 0.0006 Å |
c | 39.9166 ± 0.0019 Å |
α | 90° |
β | 94.304 ± 0.002° |
γ | 90° |
Cell volume | 9779.5 ± 0.8 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
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 | 0.1439 |
Residual factor for significantly intense reflections | 0.128 |
Weighted residual factors for significantly intense reflections | 0.3899 |
Weighted residual factors for all reflections included in the refinement | 0.4139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.932 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/4517249.html
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Users of the data should acknowledge the original authors of the
structural data.