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Information card for entry 7031401
Preview
Coordinates | 7031401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32.5 H45 B N4 O2 Zn |
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Calculated formula | C30 H39 B N4 O2 Zn |
SMILES | [Zn]12(c3[n]([B](C4=[N]1C(C)(C)CO4)(C1=[N]2C(C)(C)CO1)c1ccccc1)ccn3c1c(C)cc(C)cc1C)CC |
Title of publication | Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes. |
Authors of publication | Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 38 |
Pages of publication | 14368 - 14376 |
a | 28.79 ± 0.003 Å |
b | 28.79 ± 0.003 Å |
c | 20.2593 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 14542 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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