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Information card for entry 4087249
Preview
Coordinates | 4087249.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H35 Co N2 O |
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Calculated formula | C42 H35 Co N2 O |
SMILES | [Co]1234567([c]8([c]4([cH]3[cH]2[c]18C)C)CNC(=O)c1ncccc1)[C]1(=[C]5([C]6(=[C]71c1ccccc1)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 | 10.4199 ± 0.0013 Å |
b | 11.7779 ± 0.0015 Å |
c | 14.0341 ± 0.0018 Å |
α | 69.512 ± 0.002° |
β | 80.197 ± 0.002° |
γ | 84.859 ± 0.002° |
Cell volume | 1589 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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