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Information card for entry 1548530
Preview
Coordinates | 1548530.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H12 F6 N2 O6 |
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Calculated formula | C25 H12 F6 N2 O6 |
SMILES | FC1(F)C(=C(Oc2ccc(N3C(=O)C=CC3=O)cc2)C(F)(F)C1(F)F)Oc1ccc(N2C(=O)C=CC2=O)cc1 |
Title of publication | Crystal structure, characterization and magnetic properties of a 1D copper(II) polymer incorporating a Schiff base with carboxylate side arm |
Authors of publication | Shit, Shyamapada; Nandy, Madhusudan; Rizzoli, Corrado; Desplanches, Cédric; Mitra, Samiran |
Journal of publication | Journal of Chemical Sciences |
Year of publication | 2016 |
Journal volume | 128 |
Journal issue | 6 |
Pages of publication | 913 - 920 |
a | 15.802 ± 0.003 Å |
b | 7.0481 ± 0.0016 Å |
c | 19.53 ± 0.004 Å |
α | 90° |
β | 96.341 ± 0.01° |
γ | 90° |
Cell volume | 2161.8 ± 0.8 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 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 | 0.0913 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1198 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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