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Information card for entry 7016824
Preview
Coordinates | 7016824.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | RuCp*(C5H5B-CN) |
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Formula | C16 H20 B N Ru |
Calculated formula | C16 H20 B N Ru |
SMILES | [Ru]123456789([B]%10(=[CH]1[CH]2=[CH]3[CH]4=[CH]5%10)C#N)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C |
Title of publication | 1-Borabenzonitrile (B-cyanoboratabenzene). |
Authors of publication | Cade, Ian A.; Hill, Anthony F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10563 - 10567 |
a | 7.3762 ± 0.0002 Å |
b | 11.7494 ± 0.0003 Å |
c | 17.3553 ± 0.0004 Å |
α | 90° |
β | 92.2428 ± 0.0018° |
γ | 90° |
Cell volume | 1502.96 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0573 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for all reflections | 0.1328 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9137 |
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/7016824.html
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Users of the data should acknowledge the original authors of the
structural data.