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Information card for entry 1569696
Preview
Coordinates | 1569696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46.5 H38 Cl2 Cu F6 N4 O2 P |
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Calculated formula | C45 H38 Cl2 Cu F6 N4 O2 P |
Title of publication | Optical detection of alcohols with a Cu(I)HETPHEN complex by reversible aldehyde to hemiacetal conversion. |
Authors of publication | Wang, Lei; Xie, Zhu-Lin; Li, Xin; Lynch, Vincent M.; Mulfort, Karen L. |
Journal of publication | The Analyst |
Year of publication | 2023 |
Journal volume | 148 |
Journal issue | 18 |
Pages of publication | 4274 - 4278 |
a | 13.52666 ± 0.00016 Å |
b | 18.9337 ± 0.0002 Å |
c | 17.8755 ± 0.0003 Å |
α | 90° |
β | 106.542 ± 0.0013° |
γ | 90° |
Cell volume | 4388.6 ± 0.11 Å3 |
Cell temperature | 100.02 ± 0.13 K |
Ambient diffraction temperature | 100.02 ± 0.13 K |
Number of distinct elements | 8 |
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 | 0.0465 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1569696.html
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