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Information card for entry 4126327
Preview
Coordinates | 4126327.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(TBDAP)(OOCH3CH2CONO)](BPh4) |
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Formula | C49 H57 B Co N5 O2 |
Calculated formula | C49 H57 B Co N5 O2 |
SMILES | [Co]1234(ON=C(O1)CC)[n]1c5C[N]2(C(C)(C)C)Cc2[n]3c(ccc2)C[N]4(Cc1ccc5)C(C)(C)C.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Distinct Reactivity of a Mononuclear Peroxocobalt(III) Species toward Activation of Nitriles. |
Authors of publication | Noh, Hyeonju; Jeong, Donghyun; Ohta, Takehiro; Ogura, Takashi; Valentine, Joan Selverstone; Cho, Jaeheung |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 32.059 ± 0.002 Å |
b | 12.5985 ± 0.0008 Å |
c | 21.8637 ± 0.0012 Å |
α | 90° |
β | 104.459 ± 0.003° |
γ | 90° |
Cell volume | 8550.9 ± 0.9 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1172 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4126327.html
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