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Information card for entry 4069090
Preview
Coordinates | 4069090.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H38 Cl Ir N4 |
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Calculated formula | C35 H38 Cl Ir N4 |
SMILES | [Ir]12(Cl)([n]3ccccc3c3nc(ccc23)c2ccccc2)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)C |
Title of publication | Cyclometalation of 6-Phenyl-2,2′-Bipyridine and Iridium: Synthesis, Characterization, and Reactivity Studies |
Authors of publication | Young, Kenneth J. H.; Yousufuddin, Muhammed; Ess, Daniel H.; Periana, Roy A. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3395 |
a | 13.873 ± 0.01 Å |
b | 27.93 ± 0.02 Å |
c | 11.008 ± 0.008 Å |
α | 90° |
β | 109.862 ± 0.013° |
γ | 90° |
Cell volume | 4012 ± 5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1842 |
Residual factor for significantly intense reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.2324 |
Weighted residual factors for all reflections included in the refinement | 0.2685 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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