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Information card for entry 1543946
Preview
| Coordinates | 1543946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H26 Co N4 O5 |
|---|---|
| Calculated formula | C32 H26 Co N4 O5 |
| SMILES | [Co]12([O]=C(O1)Cc1c[nH]c3ccccc13)(OC(=O)Cc1c[nH]c3ccccc13)([OH2])[n]1cccc3ccc4ccc[n]2c4c13 |
| Title of publication | Synthesis and characterization of novel transition metal complexes with indole acetic acid ligands: Evaluation of their catalytic activity for the oxidation of cyclohexane |
| Authors of publication | Na Xing; Li Ting Xu; Feng Ying Bai; Hui Shan; Yong Heng Xing; Zhan Shi |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2014 |
| Pages of publication | 360 - 366 |
| a | 13.182 ± 0.003 Å |
| b | 12.875 ± 0.003 Å |
| c | 16.793 ± 0.003 Å |
| α | 90° |
| β | 104.26 ± 0.03° |
| γ | 90° |
| Cell volume | 2762.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543946.cif |
| 211137 | 2018-09-24 | cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433. |
1543946.cif |
| 185927 | 2016-08-22 | cif/ Adding structures of 1543946 via cif-deposit CGI script. |
1543946.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.