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Information card for entry 7062863
Preview
Coordinates | 7062863.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H17 Cu N7 O7 |
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Calculated formula | C15 H17 Cu N7 O7 |
Title of publication | Atropisomers and a copper(ii) complex derived from 1,3-dimethyl-5-(8′-quinolinylazo)-6-aminouracil: structures, magnetism and biological properties |
Authors of publication | Nandi, Nishithendu Bikash; Das, Nishan; Ghanta, Susanta; Puzari, Krishti Rekha; Dutta, Pranab; Kłak, Julia; Sieroń, Lesław; Maniukiewicz, Waldemar; Misra, Tarun Kumar |
Journal of publication | New Journal of Chemistry |
Year of publication | 2023 |
Journal volume | 47 |
Journal issue | 47 |
Pages of publication | 21633 - 21647 |
a | 11.8664 ± 0.0001 Å |
b | 7.3491 ± 0.0001 Å |
c | 20.4216 ± 0.0002 Å |
α | 90° |
β | 96.44 ± 0.001° |
γ | 90° |
Cell volume | 1769.68 ± 0.03 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0312 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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