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Information card for entry 1540028
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1540028.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 Cl2 N2 O5 P Si2 W Zn |
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Calculated formula | C23 H27 Cl2 N2 O5 P Si2 W Zn |
SMILES | [W]([P](=C1c2[n]([Zn](Cl)(Cl)[n]3c1cccc3)cccc2)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. |
Authors of publication | Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2085 - 2094 |
a | 8.7858 ± 0.0008 Å |
b | 10.8025 ± 0.001 Å |
c | 17.9022 ± 0.0015 Å |
α | 77.25 ± 0.003° |
β | 86.378 ± 0.004° |
γ | 66.964 ± 0.003° |
Cell volume | 1524.5 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/1540028.html
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Users of the data should acknowledge the original authors of the
structural data.