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Information card for entry 7056937
Preview
Coordinates | 7056937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 Cu N2 O2 |
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Calculated formula | C18 H18 Cu N2 O2 |
SMILES | [Cu]123[N](=Cc4c(cccc4)O2)C(C[N]1=Cc1c(cccc1)O3)(C)C |
Title of publication | Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations |
Authors of publication | Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 5 |
Pages of publication | 3683 |
a | 15.9036 ± 0.0004 Å |
b | 11.4442 ± 0.0003 Å |
c | 17.4141 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3169.44 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for all reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0324 |
Weighted residual factors for all reflections included in the refinement | 0.0324 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9698 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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