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Information card for entry 7040252
Preview
Coordinates | 7040252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 Cl2 N O Ru |
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Calculated formula | C19 H21 Cl2 N O Ru |
SMILES | [Ru]123456(Cl)([N]7CCOC=7c7ccc(Cl)cc67)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C |
Title of publication | Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities. |
Authors of publication | Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14230 - 14237 |
a | 20.8082 ± 0.0015 Å |
b | 12.1972 ± 0.0009 Å |
c | 16.3314 ± 0.0012 Å |
α | 90° |
β | 113.01 ± 0.001° |
γ | 90° |
Cell volume | 3815.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0471 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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