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Information card for entry 7229120
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Coordinates | 7229120.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate |
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Formula | C13 H29 F3 N4 O5 Pd S |
Calculated formula | C13 H29 F3 N4 O5 Pd S |
SMILES | C1C[NH]2CC[N](CC)(CC)[Pd]2(N(=O)=O)[N]1(CC)CC.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers |
Authors of publication | Hatcher, Lauren E.; Raithby, Paul R. |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 9.3062 ± 0.0005 Å |
b | 13.1239 ± 0.0006 Å |
c | 17.3489 ± 0.0012 Å |
α | 90° |
β | 95.366 ± 0.006° |
γ | 90° |
Cell volume | 2109.6 ± 0.2 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0628 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0666 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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