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Information card for entry 4068347
Preview
Coordinates | 4068347.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H37 Cl O3 P Re |
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Calculated formula | C22 H37 Cl O3 P Re |
SMILES | [Re]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(C#[O])(C#[O])[C](#[C]5C(C)(C)C)C[P+](C)(C)C.[Cl-].O |
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 | 8.241 ± 0.0007 Å |
b | 9.6189 ± 0.0009 Å |
c | 16.9949 ± 0.0015 Å |
α | 97.588 ± 0.002° |
β | 95.792 ± 0.002° |
γ | 107.631 ± 0.002° |
Cell volume | 1258.41 ± 0.19 Å3 |
Cell temperature | 138 ± 2 K |
Ambient diffraction temperature | 138 ± 2 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 | 0.0205 |
Residual factor for significantly intense reflections | 0.0195 |
Weighted residual factors for significantly intense reflections | 0.0497 |
Weighted residual factors for all reflections included in the refinement | 0.0504 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4068347.html
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Users of the data should acknowledge the original authors of the
structural data.