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Information card for entry 4349553
Preview
Coordinates | 4349553.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H32 Cl2 N6 O4 Zn2 |
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Calculated formula | C38 H32 Cl2 N6 O4 Zn2 |
SMILES | [Zn]123(Cl)[O]([Zn]45(Cl)[O]1c1ccc(cc1C=[N]4N(c1ccccc1)c1cccc[n]51)OC)c1ccc(cc1C=[N]2N(c1ccccc1)c1cccc[n]31)OC |
Title of publication | Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation |
Authors of publication | Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik |
Journal of publication | Inorganic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 1543 |
a | 11.506 ± 0.007 Å |
b | 11.966 ± 0.007 Å |
c | 15.127 ± 0.009 Å |
α | 84.49 ± 0.03° |
β | 89.19 ± 0.03° |
γ | 63.54 ± 0.03° |
Cell volume | 1855 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0754 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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