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Information card for entry 7707847
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Coordinates | 7707847.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AT486 / Compound 2 |
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Chemical name | [2-(Aminomethyl)phenyl-κ2-C,N]iodotriphenylphosphinepalladium |
Formula | C25.5 H24 Cl I N P Pd |
Calculated formula | C25.5 H24 Cl I N P Pd |
SMILES | I[Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2]Cc2c1cccc2.ClCCl |
Title of publication | Synthesis and [*C]CO-labelling of (C,N) <i>gem</i>-dimethylbenzylamine-palladium complexes for potential applications in positron emission tomography. |
Authors of publication | Cormier, Morgan; Tabey, Alexis; Christine, Thifanie; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 30 |
Pages of publication | 10608 - 10614 |
a | 14.0231 ± 0.0008 Å |
b | 22.4946 ± 0.0016 Å |
c | 30.2437 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9540.2 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0691 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294865 (current) | 2024-09-24 | cif/7: Fixing Z values and formulae |
7707847.cif |
268783 | 2021-09-06 | cif/ Updating files of 7707847 Original log message: Adding full bibliography for 7707847.cif. |
7707847.cif |
267660 | 2021-07-21 | cif/ Adding structures of 7707847 via cif-deposit CGI script. |
7707847.cif |
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Users of the data should acknowledge the original authors of the
structural data.