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Information card for entry 4336074
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Coordinates | 4336074.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Chloro(μ^4^-1,5-cyclooctadiene)[1,3-bis(2,4,6-triisopropylbenzyl)- (5,6-dimethyl)benzimidazol-2-ylidene] iridium(I) |
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Formula | C49 H70 Cl Ir N2 |
Calculated formula | C49 H70 Cl Ir N2 |
Title of publication | N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst |
Authors of publication | Süleyman Gülcemal; Aytaç Gürhan Gökçe; Bekir Çetinkaya |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 10601 - 10609 |
a | 16.8968 ± 0.0002 Å |
b | 16.8968 ± 0.0002 Å |
c | 32.295 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9220.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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