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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 |
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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 | Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518850.html
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Users of the data should acknowledge the original authors of the
structural data.