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Information card for entry 4349552
Preview
Coordinates | 4349552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H35 Cl2 N7 O2 Zn2 |
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Calculated formula | C46 H35 Cl2 N7 O2 Zn2 |
SMILES | [Zn]123([O](c4ccc5c(c4C=[N]3N(c3ccccc3)c3cccc[n]13)cccc5)[Zn]13([O]2c2c(c4c(cc2)cccc4)C=[N]1N(c1ccccc1)c1[n]3cccc1)Cl)Cl.CC#N |
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 | 19.314 ± 0.004 Å |
b | 12.669 ± 0.003 Å |
c | 17.15 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4196.4 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1223 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
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/4349552.html
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