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Information card for entry 7103679
Preview
Coordinates | 7103679.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H35 Co N6 O7 |
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Calculated formula | C39 H35 Co N6 O7 |
SMILES | [Co]123([n]4ccccc4C(=O)N1c1ccc(OC)cc1)([n]1ccccc1C(=O)N2c1ccc(OC)cc1)[n]1ccccc1C(=O)N3c1ccc(OC)cc1.O |
Title of publication | Synthesis and Characterization of Cobalt (=A2=BB) Complexes Containing 2-Pyridinecarboxamide Ligands and Their Application in Catalytic Oxidation of Ethylbenzene with Dioxygen |
Authors of publication | J.Qi; Hong-Xia Ma; Xian-Jun Li; Zhong-Yuan Zhou; M.C.K.Chio; Albert S. C. Chan; Qi-Yun Yang |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
a | 10.0802 ± 0.0016 Å |
b | 13.104 ± 0.002 Å |
c | 14.813 ± 0.002 Å |
α | 97.86 ± 0.003° |
β | 108.441 ± 0.004° |
γ | 105.191 ± 0.003° |
Cell volume | 1739.1 ± 0.5 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/7103679.html
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