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Information card for entry 4517231
Preview
Coordinates | 4517231.cif |
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Structure factors | 4517231.hkl |
Original paper (by DOI) | HTML |
Chemical name | phosphangulene oxide : phosphangulene 0.50:0.50 |
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Formula | C18 H9 O3.5 P |
Calculated formula | C18 H9 O3.504 P |
Title of publication | Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides |
Authors of publication | Alice Heskia; Thierry Maris; James D. Wuest |
Journal of publication | Cryst. Growth & Design |
Year of publication | 2019 |
Journal volume | 19 |
Pages of publication | 5390 - 5406 |
a | 12.0382 ± 0.0008 Å |
b | 7.4286 ± 0.0005 Å |
c | 29.694 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2655.4 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.162 |
Weighted residual factors for all reflections included in the refinement | 0.1636 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
245439 (current) | 2019-12-20 | cif/ hkl/ Adding structures of 4517231 via cif-deposit CGI script. |
4517231.cif 4517231.hkl |
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Users of the data should acknowledge the original authors of the
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