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Information card for entry 4087250
Preview
Coordinates | 4087250.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H44 Cl3 Co N2 O3 |
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Calculated formula | C55 H44 Cl3 Co N2 O3 |
SMILES | ClC(Cl)Cl.[Co]1234567([c]8([c]1([cH]2[cH]3[c]48c1ccc(OC)cc1)c1ccc(OC)cc1)CNC(=O)c1ncccc1)[C]1(=[C]7([C]6(=[C]51c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Picolinamide as a Directing Group on Metal Sandwich Compounds: sp2 C‒H Bond Activation and sp3 C‒H Bond Oxidation |
Authors of publication | Hazra, Susanta; Deb, Mayukh; Singh, Jatinder; Elias, Anil J. |
Journal of publication | Organometallics |
Year of publication | 2017 |
a | 11.094 ± 0.003 Å |
b | 15.601 ± 0.004 Å |
c | 26.287 ± 0.007 Å |
α | 90° |
β | 96.851 ± 0.005° |
γ | 90° |
Cell volume | 4517 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1612 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.1892 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
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/4087250.html
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