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Information card for entry 4063724
Preview
Coordinates | 4063724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38 Br3 Cl2 Ir O2 P2 |
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Calculated formula | C45 H38 Br3 Cl2 Ir O2 P2 |
SMILES | [Ir]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[O]=C(C(Br)=C2C=CC(=C1)Br)OC.ClCCl |
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 | 18.0293 ± 0.0003 Å |
b | 9.6157 ± 0.0001 Å |
c | 25.6486 ± 0.0002 Å |
α | 90° |
β | 109.346 ± 0.001° |
γ | 90° |
Cell volume | 4195.48 ± 0.09 Å3 |
Cell temperature | 84 ± 2 K |
Ambient diffraction temperature | 84 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0478 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4063724.html
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