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Information card for entry 1567773
Preview
Coordinates | 1567773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C89 H95 B Br2 F20 Ga2 N6 P2 |
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Calculated formula | C89 H95 B Br2 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 | 12.5498 ± 0.0004 Å |
b | 16.689 ± 0.0007 Å |
c | 23.2672 ± 0.0009 Å |
α | 77.921 ± 0.002° |
β | 77.403 ± 0.002° |
γ | 87.595 ± 0.002° |
Cell volume | 4650.5 ± 0.3 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 | 0.1015 |
Residual factor for significantly intense reflections | 0.0793 |
Weighted residual factors for significantly intense reflections | 0.1684 |
Weighted residual factors for all reflections included in the refinement | 0.1771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
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/1567773.html
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