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Information card for entry 4081177
Preview
Coordinates | 4081177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H31 Cl N2 O5 Ru S3 |
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Calculated formula | C31 H31 Cl N2 O5 Ru S3 |
SMILES | C(=O)(C=C(c1ccccc1)c1ccccc1)[Ru]123([n]4ccccc4c4cccc[n]14)[S]1CC[S]2CC[S]3CC1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines |
Authors of publication | Chung, Lai-Hon; Wong, Chun-Yuen |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3583 |
a | 10.9014 ± 0.0004 Å |
b | 11.0991 ± 0.0004 Å |
c | 13.7955 ± 0.0006 Å |
α | 75.391 ± 0.004° |
β | 69.687 ± 0.004° |
γ | 78.302 ± 0.003° |
Cell volume | 1502.53 ± 0.11 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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