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Information card for entry 4087251
Preview
Coordinates | 4087251.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H33 Br Co N3 O Pd |
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Calculated formula | C45 H33 Br Co N3 O Pd |
SMILES | [Co]1234567([c]89CN%10[Pd]([c]18[cH]2[cH]3[cH]49)([n]1c(C%10=O)cccc1)[n]1cc(Br)ccc1)[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 | 11.0618 ± 0.0011 Å |
b | 17.9809 ± 0.0017 Å |
c | 18.175 ± 0.0017 Å |
α | 90° |
β | 92.066 ± 0.002° |
γ | 90° |
Cell volume | 3612.7 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0709 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1355 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/4087251.html
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