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Information card for entry 7016473
Preview
Coordinates | 7016473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 F6 Ir N4 P |
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Calculated formula | C29 H38 F6 Ir N4 P |
SMILES | c1cccc2CN3C=4N([C@@H]5C([C@]3(CC5)C)(C)C)Cc3cccc[n]3[Ir]3564([CH]4=[CH]3CC[CH]5=[CH]6CC4)[n]12.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors. |
Authors of publication | Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8807 - 8813 |
a | 11.937 ± 0.0006 Å |
b | 14.3375 ± 0.0005 Å |
c | 16.8348 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2881.2 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0687 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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