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Information card for entry 4082949
Preview
Coordinates | 4082949.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 B Cl F N6 Os |
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Calculated formula | C19 H21 B Cl F N6 Os |
SMILES | [Os]1234([n]5n([BH](n6[n]1ccc6)n1[n]2ccc1)ccc5)(c1cc(Cl)cc(F)c1)([CH2]=[CH2]3)[CH2]=[CH2]4 |
Title of publication | Selectivemeta-C‒H Bond Activation of Substituted 1,3-Chlorobenzenes Promoted by an Osmium Pyridyl Complex |
Authors of publication | Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1851 |
a | 10.5697 ± 0.0005 Å |
b | 12.2481 ± 0.0006 Å |
c | 15.7824 ± 0.0008 Å |
α | 90° |
β | 98.157 ± 0.001° |
γ | 90° |
Cell volume | 2022.5 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0312 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0527 |
Weighted residual factors for all reflections included in the refinement | 0.0539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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