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Information card for entry 7037103
Preview
| Coordinates | 7037103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis{(R)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}-nickel(II) |
|---|---|
| Formula | C38 H32 N2 Ni O2 |
| Calculated formula | C38 H32 N2 Ni O2 |
| SMILES | [Ni]12(Oc3ccc4ccccc4c3C=[N]2[C@H](C)c2ccccc2)Oc2ccc3ccccc3c2C=[N]1[C@H](C)c1ccccc1 |
| Title of publication | Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes. |
| Authors of publication | Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 45 |
| Journal issue | 2 |
| Pages of publication | 667 - 680 |
| a | 9.5282 ± 0.0016 Å |
| b | 15.355 ± 0.003 Å |
| c | 20.655 ± 0.004 Å |
| α | 90° |
| β | 90.146 ± 0.007° |
| γ | 90° |
| Cell volume | 3021.9 ± 1 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037103.cif |
| 175991 | 2016-02-05 | cif/ Updating files of 7037103, 7037104 Original log message: Adding full bibliography for 7037103--7037104.cif. |
7037103.cif |
| 170193 | 2015-11-07 | cif/ Adding structures of 7037103, 7037104 via cif-deposit CGI script. |
7037103.cif |
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Users of the data should acknowledge the original authors of the
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