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Information card for entry 4087888
Preview
Coordinates | 4087888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 B2 Cl2 F4 N7 O W |
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Calculated formula | C21 H29 B2 Cl2 F4 N7 O W |
SMILES | [W]123([n]4n(c(cc4C)C)[BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)([CH]#[CH]3)(C#[O])[N]#CC.[B](F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling |
Authors of publication | Beattie, Ross J.; White, Peter S.; Templeton, Joseph L. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 35 |
Journal issue | 1 |
Pages of publication | 32 |
a | 11.494 ± 0.0002 Å |
b | 11.7784 ± 0.0002 Å |
c | 12.1042 ± 0.0002 Å |
α | 69.12 ± 0.001° |
β | 76.651 ± 0.001° |
γ | 65.414 ± 0.001° |
Cell volume | 1385.66 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0263 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4087888.html
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