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Information card for entry 7049259
Preview
Coordinates | 7049259.cif |
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Original paper (by DOI) | HTML |
Formula | C39.5 H43 Cl F6 Ir N O1.5 P2 |
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Calculated formula | C39.5 H41 Cl F6 Ir N O1.5 P2 |
Title of publication | N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(iii) complexes. |
Authors of publication | Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; Hou, Xiu-Feng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 15 |
Pages of publication | 5072 - 5082 |
a | 15.7381 ± 0.0006 Å |
b | 24.1696 ± 0.001 Å |
c | 20.8139 ± 0.0007 Å |
α | 90° |
β | 101.87 ± 0.002° |
γ | 90° |
Cell volume | 7748 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0722 |
Weighted residual factors for significantly intense reflections | 0.2079 |
Weighted residual factors for all reflections included in the refinement | 0.2229 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.34138 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
224392 (current) | 2019-11-08 | cif/ Updating files of 7049259, 7049260, 7049261, 7049262 Original log message: Adding full bibliography for 7049259--7049262.cif. |
7049259.cif |
214058 | 2019-03-09 | cif/ Adding structures of 7049259, 7049260, 7049261, 7049262 via cif-deposit CGI script. |
7049259.cif |
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Users of the data should acknowledge the original authors of the
structural data.