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Information card for entry 7709347
Preview
Coordinates | 7709347.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H55 B Co N4 O3 |
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Calculated formula | C59 H55 B Co N4 O3 |
SMILES | [Co]1234(OC(=O)C([OH]1)(c1ccccc1)c1ccccc1)[n]1c(C)cccc1C[N]2(Cc1[n]3c(ccc1)C)Cc1[n]4c(ccc1)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes |
Authors of publication | Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 16.5064 ± 0.0006 Å |
b | 11.9166 ± 0.0004 Å |
c | 27.6323 ± 0.0008 Å |
α | 90° |
β | 119.47 ± 0.002° |
γ | 90° |
Cell volume | 4732 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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