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Information card for entry 7226113
Preview
| Coordinates | 7226113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N3 Ni O4 P S |
|---|---|
| Calculated formula | C30 H32 N3 Ni O4 P S |
| SMILES | [Ni]12([N](N=C(S1)N)=Cc1cc(cc(c1O2)C=O)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC |
| Title of publication | Facile high-yield synthesis of unsymmetric end-off compartmental double Schiff-base ligands: easy access to mononuclear precursor and unsymmetric dinuclear complexes |
| Authors of publication | Schmidt, Markus; Görls, Helmar; Plass, Winfried |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.831 ± 0.0006 Å |
| b | 7.6772 ± 0.0003 Å |
| c | 25.8278 ± 0.0009 Å |
| α | 90° |
| β | 93.346 ± 0.001° |
| γ | 90° |
| Cell volume | 2935.75 ± 0.19 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184815 (current) | 2016-08-04 | cif/ Adding structures of 7226112, 7226113 via cif-deposit CGI script. |
7226113.cif |
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