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Information card for entry 7031450
Preview
Coordinates | 7031450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H74.86 B2 F24 Ir N5 |
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Calculated formula | C76 H74.86 B2 F24 Ir N5 |
Title of publication | Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry. |
Authors of publication | Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 32 |
Pages of publication | 12288 - 12298 |
a | 12.7291 ± 0.0001 Å |
b | 17.5467 ± 0.0002 Å |
c | 18.0265 ± 0.0002 Å |
α | 88.2727 ± 0.0004° |
β | 70.2021 ± 0.0005° |
γ | 87.5305 ± 0.0004° |
Cell volume | 3784.27 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0486 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for all reflections | 0.1042 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1042 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9128 |
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/7031450.html
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Users of the data should acknowledge the original authors of the
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