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Information card for entry 4089708
Preview
| Coordinates | 4089708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 I2 N4 O Pd |
|---|---|
| Calculated formula | C16 H18 I2 N4 O Pd |
| SMILES | C12N(C)C=CN1C(c1ccc(cc1)OC)N1C=CN(C1=[Pd]=2(I)I)C |
| Title of publication | Chelating Bis-N-heterocyclic Carbene‒Palladium(II) Complexes for Oxidative Arene C‒H Functionalization |
| Authors of publication | Desai, Sai Puneet; Mondal, Moumita; Choudhury, Joyanta |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2731 |
| a | 8.6882 ± 0.0007 Å |
| b | 9.4594 ± 0.001 Å |
| c | 14.0734 ± 0.0011 Å |
| α | 84.785 ± 0.004° |
| β | 74.798 ± 0.003° |
| γ | 62.911 ± 0.002° |
| Cell volume | 993.16 ± 0.15 Å3 |
| Cell temperature | 131 ± 2 K |
| Ambient diffraction temperature | 131 ± 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 | 0.0329 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243725 (current) | 2019-11-26 | cif/ Adding structures of 4089707, 4089708 via cif-deposit CGI script. |
4089708.cif |
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Users of the data should acknowledge the original authors of the
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