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Information card for entry 7056118
Preview
Coordinates | 7056118.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H22 Cl2 Cu N8 O3 |
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Calculated formula | C18 H22 Cl2 Cu N8 O3 |
SMILES | c1[n]([Cu]([OH2])([n]2cnn3c2n(c2c3cccc2)C)(Cl)Cl)c2n(c3ccccc3n2C)n1.O.O |
Title of publication | Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles |
Authors of publication | Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V. |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 17.6722 ± 0.0007 Å |
b | 17.3463 ± 0.0007 Å |
c | 7.397 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2267.53 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0295 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7056118.html
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