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Information card for entry 4089119
Preview
Coordinates | 4089119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H26 Co4 O16 |
---|---|
Calculated formula | C36 H26 Co4 O16 |
SMILES | C([c]12[c]3([C@@H]([C@H]([c]45[c]6(COC)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])c4ccc(cc4)OC)c4ccc(cc4)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])OC.C([c]12[c]3([C@H]([C@@H]([c]45[c]6(COC)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])c4ccc(cc4)OC)c4ccc(cc4)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])OC |
Title of publication | Acquiring a Prognostic Power in Co2(CO)6-Mediated, Cobaltocene-Induced Radical Dimerizations of Propargyl Triflates |
Authors of publication | Melikyan, Gagik G.; Davis, Ryan; Anker, Bryan; Meron, Deborah; Duncan, Kellyanne |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 24 |
Pages of publication | 4060 |
a | 9.8869 ± 0.0008 Å |
b | 10.4556 ± 0.0009 Å |
c | 18.6581 ± 0.0016 Å |
α | 91.497 ± 0.003° |
β | 92.835 ± 0.003° |
γ | 90.706 ± 0.003° |
Cell volume | 1925.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.048 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4089119.html
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Users of the data should acknowledge the original authors of the
structural data.