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Information card for entry 4068348
Preview
Coordinates | 4068348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H50 B Cl4 F16 O2 P2 Re |
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Calculated formula | C51 H50 B Cl4 F16 O2 P2 Re |
SMILES | [Re]12345([C](#[C]1C[P+](c1ccccc1)(c1ccccc1)CCP(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)(C)C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[B](F)(F)(F)[F-].ClCCl.ClCCl |
Title of publication | Quantitative Determination of the Regioselectivity of Nucleophilic Addition to η-Propargyl Rhenium Complexes and Direct Observation of an Equilibrium Between η-Propargyl Rhenium Complexes and Rhenacyclobutenes. |
Authors of publication | Casey, Charles P.; Boller, Timothy M.; Samec, Joseph S. M.; Reinert-Nash, John R |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 123 - 131 |
a | 14.907 ± 0.002 Å |
b | 15.589 ± 0.003 Å |
c | 24.225 ± 0.005 Å |
α | 90° |
β | 91.723 ± 0.003° |
γ | 90° |
Cell volume | 5627 ± 1.8 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 8 |
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 | 0.2227 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1241 |
Weighted residual factors for all reflections included in the refinement | 0.171 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
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/4068348.html
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Users of the data should acknowledge the original authors of the
structural data.