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Information card for entry 4064180
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Coordinates | 4064180.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(N(c2c1cccc2)C)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 | 17.913 ± 0.0012 Å |
b | 7.7294 ± 0.0005 Å |
c | 15.4981 ± 0.001 Å |
α | 90° |
β | 107.899 ± 0.002° |
γ | 90° |
Cell volume | 2042 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4064180.html
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