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Information card for entry 4089187
Preview
Coordinates | 4089187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H41 Co N O P3 |
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Calculated formula | C33 H41 Co N O P3 |
SMILES | [Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4[CH]2=[N]1C3c1ccc(OC)cc1)([P](C)(C)C)[P](C)(C)C |
Title of publication | Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation |
Authors of publication | Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 5 |
Pages of publication | 975 |
a | 8.3914 ± 0.0001 Å |
b | 18.3937 ± 0.0005 Å |
c | 20.2728 ± 0.0004 Å |
α | 90° |
β | 92.068 ± 0.001° |
γ | 90° |
Cell volume | 3127.05 ± 0.11 Å3 |
Cell temperature | 150.15 K |
Ambient diffraction temperature | 150.15 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 | 0.0308 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
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/4089187.html
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