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Information card for entry 7044377
Preview
Coordinates | 7044377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H25 Cl3 N O2 P Ru S |
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Calculated formula | C30 H25 Cl3 N O2 P Ru S |
SMILES | [RuH]12(Cl)([n]3c(ccc4cccc([S]1(=O)c1ccccc1)c34)C[P]2(c1ccccc1)c1ccccc1)C#O.ClCCl |
Title of publication | Oxidant-free Synthesis of Benzimidazoles from Alcohols and Aromatic Diamines Catalysed by New Ru(II)-PNS(O) Pincer Complexes |
Authors of publication | Luo, Qi; Dai, Zengjin; Cong, Hengjiang; Li, Renjie; Peng, Tianyou; Zhang, Jing |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 12.8682 ± 0.0016 Å |
b | 16.3946 ± 0.0019 Å |
c | 13.6191 ± 0.0016 Å |
α | 90° |
β | 93.143 ± 0.003° |
γ | 90° |
Cell volume | 2868.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0485 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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