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Information card for entry 1518849
Preview
| Coordinates | 1518849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H44 N2 Ni O8 |
|---|---|
| Calculated formula | C44 H44 N2 Ni O8 |
| SMILES | OCC.OCC.[Ni]([n]1ccccc1)([OH2])([OH2])(OC(=O)c1c2c(cc3c1cccc3)cccc2)(OC(=O)c1c2c(cccc2)cc2c1cccc2)[n]1ccccc1 |
| Title of publication | Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand |
| Authors of publication | Cortijo, Miguel; Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torres, M. R. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2015 |
| Journal volume | 424 |
| Pages of publication | 176 - 185 |
| a | 8.2501 ± 0.0008 Å |
| b | 15.522 ± 0.0014 Å |
| c | 31.598 ± 0.003 Å |
| α | 90° |
| β | 93.455 ± 0.002° |
| γ | 90° |
| Cell volume | 4039 ± 0.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1472 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301988 (current) | 2025-09-03 | Update bibliographic information in entries 1518848-1518851 |
1518849.cif |
| 301776 | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518849.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518849.cif |
| 133926 | 2015-03-14 | cif/ Adding structures of 1518849 via cif-deposit CGI script. |
1518849.cif |
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