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Information card for entry 4081332
Preview
Coordinates | 4081332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H38 B F4 N O P2 W2 |
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Calculated formula | C42 H38 B F4 N O P2 W2 |
SMILES | [WH]12345([P](c6ccccc6)(c6ccccc6)[W]6789([P]1(c1ccccc1)c1ccccc1)(=Nc1ccc(cc1)C)[cH]1[cH]7[cH]8[cH]9[cH]61)(C#[O])[cH]1[cH]2[cH]5[cH]4[cH]31.[B](F)(F)(F)[F-] |
Title of publication | Hydrogen Atom Transfer Reactions of the Unsaturated Hydroxycarbyne Complex [W2Cp2(μ-COH)(μ-PPh2)2]BF4 |
Authors of publication | Cimadevilla, Fernanda; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Graiff, Claudia; Tiripicchio, Antonio |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4624 |
a | 10.662 ± 0.003 Å |
b | 20.723 ± 0.005 Å |
c | 17.943 ± 0.004 Å |
α | 90° |
β | 96.29 ± 0.05° |
γ | 90° |
Cell volume | 3940.6 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0712 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081332.html
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Users of the data should acknowledge the original authors of the
structural data.