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Information card for entry 4079744
Preview
Coordinates | 4079744.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78.5 H73 B Cl F24 Ir N4 |
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Calculated formula | C78.5 H73 B Cl F24 Ir N4 |
Title of publication | Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Complexes: Air-Stable 14-Electron Cations and Facile Degenerate C‒H Activation |
Authors of publication | Phillips, Nicholas; Rowles, Johnny; Kelly, Michael J.; Riddlestone, Ian; Rees, Nicholas H.; Dervisi, Athanasia; Fallis, Ian A.; Aldridge, Simon |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8075 |
a | 12.623 ± 0.0002 Å |
b | 16.379 ± 0.0003 Å |
c | 19.2977 ± 0.0003 Å |
α | 100.917 ± 0.0008° |
β | 104.042 ± 0.0007° |
γ | 94.8383 ± 0.0009° |
Cell volume | 3764.84 ± 0.11 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0988 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections | 0.1289 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9607 |
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/4079744.html
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