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Information card for entry 4064311
Preview
Coordinates | 4064311.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H24 B N4 O2 Rh |
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Calculated formula | C16 H24 B N4 O2 Rh |
SMILES | [Rh]1(=C2N(C=CN2C(C)(C)C)[BH2][n]2c1n(cc2)C(C)(C)C)(C#[O])C#[O] |
Title of publication | Iridium(I) and Rhodium(I) Carbonyl Complexes with the Bis(3-tert-butylimidazol-2-ylidene)borate Ligand and Unusual B−H Fluorination |
Authors of publication | Chen, Fei; Sun, Jia-Feng; Li, Tao-Yuan; Chen, Xue-Tai; Xue, Zi-Ling |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 7 |
Pages of publication | 2006 |
a | 9.4507 ± 0.0015 Å |
b | 9.8447 ± 0.0015 Å |
c | 10.9766 ± 0.0017 Å |
α | 92.321 ± 0.002° |
β | 91.979 ± 0.002° |
γ | 111.706 ± 0.001° |
Cell volume | 946.7 ± 0.3 Å3 |
Cell temperature | 298 ± 3 K |
Ambient diffraction temperature | 298 ± 3 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/4064311.html
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Users of the data should acknowledge the original authors of the
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