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Information card for entry 7126049
Preview
Coordinates | 7126049.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H76 As Cl4 Ga N3 |
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Calculated formula | C57 H76 As Cl4 Ga N3 |
SMILES | [As](C(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C.[Ga]([Cl-])(Cl)(Cl)Cl |
Title of publication | Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications. |
Authors of publication | Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 24 |
Pages of publication | 3575 - 3578 |
a | 12.6066 ± 0.0003 Å |
b | 23.8366 ± 0.0005 Å |
c | 18.7085 ± 0.0004 Å |
α | 90° |
β | 98.41 ± 0.002° |
γ | 90° |
Cell volume | 5561.4 ± 0.2 Å3 |
Cell temperature | 99.99 ± 0.1 K |
Ambient diffraction temperature | 99.99 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0661 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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