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Information card for entry 7056371
Preview
| Coordinates | 7056371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H44 Cl2 N14 O8 Pd2 |
|---|---|
| Calculated formula | C52 H44 Cl2 N14 O8 Pd2 |
| SMILES | [Pd]12([n]3c(N([Pd]456)N=C(C(=[N]4Nc4[n]5cccc4)c4ccccc4)c4ccccc4)cccc3)[n]3ccccc3N[N]1=C(C(=NN2c1cccc[n]61)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].N#CC.C(#N)C |
| Title of publication | Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes |
| Authors of publication | Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 15 |
| Pages of publication | 7384 - 7391 |
| a | 10.5484 ± 0.0016 Å |
| b | 11.4088 ± 0.0014 Å |
| c | 13.033 ± 0.002 Å |
| α | 66.797 ± 0.015° |
| β | 67.828 ± 0.015° |
| γ | 89.922 ± 0.011° |
| Cell volume | 1314.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0589 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056371.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7056371.cif |
| 198130 | 2017-06-24 | cif/ Adding structures of 7056370, 7056371 via cif-deposit CGI script. |
7056371.cif |
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Users of the data should acknowledge the original authors of the
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