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Information card for entry 4064223
Preview
Coordinates | 4064223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64.5 H49 B Cl F24 N2 O5 Re |
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Calculated formula | C64 H48 B F24 N2 O5 Re |
Title of publication | Neutral and Cationic Mono- and Bis-N-heterocyclic Carbene Complexes Derived From Manganese and Rhenium Carbonyl Precursors |
Authors of publication | Martin, Thomas A.; Ellul, Charles E.; Mahon, Mary F.; Warren, Mark E.; Allan, David; Whittlesey, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2200 |
a | 13.66 ± 0.0002 Å |
b | 15.504 ± 0.0002 Å |
c | 17.029 ± 0.0002 Å |
α | 101.088 ± 0.001° |
β | 104.546 ± 0.001° |
γ | 99.339 ± 0.001° |
Cell volume | 3340.47 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1151 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064223.html
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