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Information card for entry 4064178
Preview
Coordinates | 4064178.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 I2 N3 Pd |
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Calculated formula | C18 H19 I2 N3 Pd |
SMILES | [Pd](I)(I)(=C1N(c2ccccc2N1C)C)C#[N]c1c(cccc1C)C |
Title of publication | Reactivity Differences of Palladium(II) Dimers Bearing Heterocyclic Carbenes with Two, One, or No α-Nitrogen Atoms toward Isocyanides |
Authors of publication | Han, Yuan; Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1224 |
a | 8.1193 ± 0.001 Å |
b | 8.1769 ± 0.0011 Å |
c | 15.721 ± 0.002 Å |
α | 100.158 ± 0.003° |
β | 90.542 ± 0.003° |
γ | 90.819 ± 0.003° |
Cell volume | 1027.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.029 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0836 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4064178.html
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