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Information card for entry 7238113
Preview
Coordinates | 7238113.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetraphenylphosphonium chloride, hydrogenperoxide water solvate |
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Formula | C24 H24 Cl O3.85 P |
Calculated formula | C24 H24 Cl O3.85 P |
Title of publication | The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide |
Authors of publication | Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K. |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 110 |
Pages of publication | 664 |
a | 9.6207 ± 0.0003 Å |
b | 11.1229 ± 0.0003 Å |
c | 11.5791 ± 0.0003 Å |
α | 75.102 ± 0.001° |
β | 73.232 ± 0.001° |
γ | 71.184 ± 0.001° |
Cell volume | 1104.44 ± 0.05 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7238113.html
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