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Information card for entry 4079521
Preview
Coordinates | 4079521.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55.5 H41 B Cl2 F24 Ir N5 |
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Calculated formula | C55.5 H41 B Cl2 F23.97 Ir N5 |
Title of publication | Catalyzed Tandem C‒N/C‒C Bond Formation for the Synthesis of Tricyclic Indoles using Ir(III) Pyrazolyl-1,2,3-Triazolyl Complexes |
Authors of publication | Wong, Chin Min; Vuong, Khuong Q.; Gatus, Mark R. D.; Hua, Carol; Bhadbhade, Mohan; Messerle, Barbara A. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 21 |
Pages of publication | 7500 |
a | 12.5013 ± 0.0014 Å |
b | 16.375 ± 0.0008 Å |
c | 16.937 ± 0.0008 Å |
α | 117.541 ± 0.002° |
β | 96.775 ± 0.002° |
γ | 101.575 ± 0.002° |
Cell volume | 2921.8 ± 0.4 Å3 |
Cell temperature | 151 ± 2 K |
Ambient diffraction temperature | 151 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0195 |
Residual factor for significantly intense reflections | 0.0186 |
Weighted residual factors for significantly intense reflections | 0.0467 |
Weighted residual factors for all reflections included in the refinement | 0.0474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4079521.html
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