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Information card for entry 4068043
Preview
Coordinates | 4068043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H40 Cl2 N4 O2 Pt |
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Calculated formula | C44 H40 Cl2 N4 O2 Pt |
SMILES | [Pt]([N]1=C(CC)ON(C1(c1ccccc1)c1ccccc1)c1ccccc1)([N]1=C(CC)ON(C1(c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl |
Title of publication | Facile and Reversible 1,3-Dipolar Cycloaddition of Aryl Ketonitrones to Platinum(II)-Bound Nitriles: Synthetic, Structural, and Theoretical Studies |
Authors of publication | Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Dolgushin, Fedor M.; Tung, Tran Q.; Molchanov, Alexander P.; Kukushkin, Vadim Yu. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 2 |
Pages of publication | 687 |
a | 7.8443 ± 0.0003 Å |
b | 9.923 ± 0.0004 Å |
c | 12.8246 ± 0.0006 Å |
α | 81.119 ± 0.001° |
β | 81.457 ± 0.001° |
γ | 70.851 ± 0.001° |
Cell volume | 926.57 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0234 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0503 |
Weighted residual factors for all reflections included in the refinement | 0.0503 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4068043.html
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Users of the data should acknowledge the original authors of the
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