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Information card for entry 4329629
Preview
Coordinates | 4329629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 B F4 N4 O4 Re |
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Calculated formula | C21 H24 B F4 N4 O4 Re |
SMILES | [Re]1([n]2cc(ccc2c2[n]1cc(cc2)C)C)([NH]=C(N1CCOCC1)C)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-] |
Title of publication | New Monodentate Amidine Superbasic Ligands with a Single Configuration in fac-[Re(CO)3(5,5'- or 6,6'-Me2bipyridine)(amidine)]BF4 Complexes |
Authors of publication | Pramuditha Abhayawardhana; Patricia A. Marzilli; Theshini Perera; Frank R. Fronczek; Luigi G. Marzilli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 7271 - 7283 |
a | 11.3847 ± 0.0009 Å |
b | 13.3112 ± 0.001 Å |
c | 15.7988 ± 0.0015 Å |
α | 90° |
β | 97.843 ± 0.006° |
γ | 90° |
Cell volume | 2371.8 ± 0.3 Å3 |
Cell temperature | 90 ± 0.5 K |
Ambient diffraction temperature | 90 ± 0.5 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4329629.html
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