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Information card for entry 7224217
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Coordinates | 7224217.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate |
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Formula | C48 H73 B N4 O3 Pd |
Calculated formula | C48 H73 B N4 O3 Pd |
SMILES | C1C[NH]2CC[N](CCCC)(CCCC)[Pd]2([N]1(CCCC)CCCC)ON=O.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1 |
Title of publication | Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature |
Authors of publication | Hatcher, Lauren E. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 22 |
Pages of publication | 4180 |
a | 11.4854 ± 0.0003 Å |
b | 13.3693 ± 0.0003 Å |
c | 30.0108 ± 0.0008 Å |
α | 90° |
β | 94.639 ± 0.002° |
γ | 90° |
Cell volume | 4593.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0513 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0667 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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