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Information card for entry 4069074
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Coordinates | 4069074.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H84 Cl Ir N4 O |
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Calculated formula | C58 H84 Cl Ir N4 O |
Title of publication | Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Systems: Multiple C−H Activation Processes and Isomeric Normal/Abnormal Carbene Complexes |
Authors of publication | Tang, Christina Y.; Smith, William; Vidovic, Dragoslav; Thompson, Amber L.; Chaplin, Adrian B.; Aldridge, Simon |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 3059 |
a | 12.8945 ± 0.0001 Å |
b | 20.4003 ± 0.0002 Å |
c | 21.273 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5595.9 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for all reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1832 |
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/4069074.html
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structural data.