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Information card for entry 7711871
Preview
Coordinates | 7711871.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H19 Cl Cu N4 O2 |
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Calculated formula | C23 H19 Cl Cu N4 O2 |
SMILES | [Cu]12(Cl)[O]=C(Nc3cccc4c3nccc4)C(C(=O)N1c1c3[n]2cccc3ccc1)(C)C |
Title of publication | Bio-inspired Cu(II) amido-quinoline complexes as catalysts for aromatic C-H bond hydroxylation. |
Authors of publication | Monika, ?; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi; Adhikari, Sanjay |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2023 |
Journal volume | 52 |
Journal issue | 3 |
Pages of publication | 540 - 545 |
a | 10.1783 ± 0.0005 Å |
b | 10.5304 ± 0.0004 Å |
c | 10.9027 ± 0.0005 Å |
α | 72.66 ± 0.002° |
β | 73.038 ± 0.002° |
γ | 73.118 ± 0.002° |
Cell volume | 1040.11 ± 0.08 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 | 0.03 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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