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Information card for entry 7116408
Preview
Coordinates | 7116408.cif |
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Original paper (by DOI) | HTML |
Formula | C63 H86 B2 Be N6 |
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Calculated formula | C63 H86 B2 Be N6 |
SMILES | [Be](=C1N(C=CN1C)C)(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1 |
Title of publication | Beryllium bis(diazaborolyl): old neighbors finally shake hands |
Authors of publication | T. Arnold; H. Braunschweig; W. C. Ewing; T. Kramer; J. Mies; J. K. Schuster |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 737 |
a | 12.3713 ± 0.0007 Å |
b | 20.3783 ± 0.0011 Å |
c | 12.4856 ± 0.0007 Å |
α | 90° |
β | 114.919 ± 0.0019° |
γ | 90° |
Cell volume | 2854.7 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7116408.html
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Users of the data should acknowledge the original authors of the
structural data.