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Information card for entry 2019472
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Coordinates | 2019472.cif |
---|---|
Structure factors | 2019472.hkl |
Original IUCr paper | HTML |
Chemical name | 2-Phenyl-1,10-phenanthrolin-1-ium hexafluoridophosphate |
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Formula | C18 H13 F6 N2 P |
Calculated formula | C18 H13 F6 N2 P |
Title of publication | In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II) |
Authors of publication | Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 3 |
Pages of publication | 260 - 266 |
a | 7.5798 ± 0.0008 Å |
b | 10.693 ± 0.0012 Å |
c | 10.9157 ± 0.0012 Å |
α | 103.713 ± 0.003° |
β | 90.801 ± 0.003° |
γ | 104.707 ± 0.003° |
Cell volume | 828.75 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.1736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.775 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2019472.html
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