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Information card for entry 4068787
Preview
Coordinates | 4068787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H26 B I N4 |
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Calculated formula | C14 H26 B I N4 |
SMILES | [I-].[BH2]([n]1cn(cc1)C(C)(C)C)n1c[n+](cc1)C(C)(C)C |
Title of publication | Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination |
Authors of publication | Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 6 |
Pages of publication | 1730 |
a | 11.9656 ± 0.0002 Å |
b | 10.0655 ± 0.0001 Å |
c | 15.1879 ± 0.0002 Å |
α | 90° |
β | 96.405 ± 0.001° |
γ | 90° |
Cell volume | 1817.81 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0921 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
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/4068787.html
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Users of the data should acknowledge the original authors of the
structural data.