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Information card for entry 4063723
Preview
Coordinates | 4063723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H37 Br F3 Ir O6 P2 S |
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Calculated formula | C46 H37 Br F3 Ir O6 P2 S |
SMILES | [Ir]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([O]=C(C(Br)=C2C=CC=C1)OC)C#[O].S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions |
Authors of publication | Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 1 |
Pages of publication | 129 |
a | 11.6419 ± 0.0001 Å |
b | 14.2429 ± 0.0001 Å |
c | 14.4475 ± 0.0002 Å |
α | 86.026 ± 0.001° |
β | 70.497 ± 0.001° |
γ | 69.747 ± 0.001° |
Cell volume | 2115.64 ± 0.04 Å3 |
Cell temperature | 84 ± 2 K |
Ambient diffraction temperature | 84 ± 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 | 0.0264 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.0628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4063723.html
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