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Information card for entry 4314375
Preview
Coordinates | 4314375.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 Cl3 N3 Re |
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Calculated formula | C20 H17 Cl3 N3 Re |
SMILES | [Re]1(Cl)(Cl)(Cl)([N](c2ccccc2)=CC=[N]1c1ccccc1)=Nc1ccccc1 |
Title of publication | Rhenium Chemistry of Diazabutadienes and Derived Iminoacetamides Spanning the Valence Domain II-VI. Synthesis, Characterization, and Metal-Promoted Regiospecific Imine Oxidation |
Authors of publication | Samir Das; Indranil Chakraborty; Animesh Chakravorty |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 6545 - 6555 |
a | 14.991 ± 0.011 Å |
b | 7.139 ± 0.003 Å |
c | 19.717 ± 0.011 Å |
α | 90° |
β | 104.72 ± 0.05° |
γ | 90° |
Cell volume | 2041 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0449 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for all reflections | 0.0979 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Goodness-of-fit parameter for all reflections | 1.101 |
Goodness-of-fit parameter for significantly intense reflections | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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