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Information card for entry 7059738
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Coordinates | 7059738.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 Cl2 Cu N4 O |
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Calculated formula | C18 H14 Cl2 Cu N4 O |
Title of publication | Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study |
Authors of publication | Podder, Nirmalya; Mandal, Sukanta |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 29 |
Pages of publication | 12793 - 12805 |
a | 8.706 ± 0.006 Å |
b | 9.442 ± 0.008 Å |
c | 11.725 ± 0.009 Å |
α | 94.12 ± 0.05° |
β | 98 ± 0.04° |
γ | 109.84 ± 0.05° |
Cell volume | 890.4 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.2084 |
Weighted residual factors for all reflections included in the refinement | 0.2289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7059738.html
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Users of the data should acknowledge the original authors of the
structural data.