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Information card for entry 1567768
Preview
Coordinates | 1567768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H102 B Cl2 F20 Ga2 N6 P2 |
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Calculated formula | C96 H102 B Cl2 F20 Ga2 N6 P2 |
Title of publication | Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations |
Authors of publication | Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 12.6151 ± 0.001 Å |
b | 16.6393 ± 0.0013 Å |
c | 23.1348 ± 0.0018 Å |
α | 77.844 ± 0.003° |
β | 77.731 ± 0.003° |
γ | 86.897 ± 0.003° |
Cell volume | 4638.6 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1567768.html
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