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Information card for entry 4063610
Preview
Coordinates | 4063610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 I2 Ir N2 |
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Calculated formula | C14 H19 I2 Ir N2 |
SMILES | [Ir]12345(I)(=C6N(C=CN6[C@@H](C(C)C)C[c]61[cH]2[cH]3[cH]4[cH]56)C)I |
Title of publication | Enantiomerically Pure Cyclopentadienyl- and Indenyl-Functionalized N-Heterocyclic Carbene Complexes of Iridium and Rhodium |
Authors of publication | da Costa, André P.; Lopes, Rita; Cardoso, João M. S.; Mata, Jose A.; Peris, Eduardo; Royo, Beatriz |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4437 |
a | 9.0445 ± 0.0006 Å |
b | 12.7406 ± 0.0009 Å |
c | 17.8947 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2062 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0328 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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