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Information card for entry 4081468
Preview
Coordinates | 4081468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H89 B2 Cl5 F48 Ir2 N4 O4 P2 |
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Calculated formula | C112 H86 B2 Cl5 F48 Ir2 N4 O4 P2 |
Title of publication | Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions |
Authors of publication | Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4702 |
a | 14.2328 ± 0.0007 Å |
b | 14.5307 ± 0.0007 Å |
c | 15.9379 ± 0.0008 Å |
α | 92.544 ± 0.003° |
β | 113.818 ± 0.002° |
γ | 92.667 ± 0.003° |
Cell volume | 3005 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 9 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for all reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.0261 |
Weighted residual factors for all reflections included in the refinement | 0.0255 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9621 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081468.html
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