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Information card for entry 4083197
Preview
Coordinates | 4083197.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H11 Ag Cl N3 S |
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Calculated formula | C13 H11 Ag Cl N3 S |
SMILES | [Ag](Cl)=C1N(C=CN1c1sc2ccccc2n1)CC=C |
Title of publication | Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis |
Authors of publication | Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2457 |
a | 7.1756 ± 0.0007 Å |
b | 9.6293 ± 0.0009 Å |
c | 11.2883 ± 0.0011 Å |
α | 91.786 ± 0.002° |
β | 105.081 ± 0.002° |
γ | 109.104 ± 0.002° |
Cell volume | 705.83 ± 0.12 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
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 | No |
Has Fobs | No |
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