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Information card for entry 1518850
Preview
| Coordinates | 1518850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H56 N4 Ni2 O9.5 |
|---|---|
| Calculated formula | C80 H56 N4 Ni2 O9.5 |
| SMILES | [Ni]12([O]=C(O[Ni]([O]=C(O1)c1c3ccccc3cc3c1cccc3)(OC(=O)c1c3ccccc3cc3ccccc13)([OH2]2)([n]1ccccc1)[n]1ccccc1)c1c2c(cccc2)cc2ccccc12)(OC(=O)c1c2ccccc2cc2ccccc12)([n]1ccccc1)[n]1ccccc1.O |
| 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 | 16.91 ± 0.003 Å |
| b | 19.838 ± 0.005 Å |
| c | 22.694 ± 0.005 Å |
| α | 112.072 ± 0.004° |
| β | 98.823 ± 0.005° |
| γ | 97.444 ± 0.005° |
| Cell volume | 6824 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3344 |
| Residual factor for significantly intense reflections | 0.1118 |
| Weighted residual factors for significantly intense reflections | 0.2388 |
| Weighted residual factors for all reflections included in the refinement | 0.3626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| 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 |
1518850.cif |
| 217275 | 2019-07-26 | cif/1 Fixing Z values and formulae |
1518850.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. |
1518850.cif |
| 133927 | 2015-03-14 | cif/ Adding structures of 1518850 via cif-deposit CGI script. |
1518850.cif |
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