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Information card for entry 2013719
Preview
Coordinates | 2013719.cif |
---|---|
Structure factors | 2013719.hkl |
Original IUCr paper | HTML |
Formula | C32 H37 Cl2 N2 O2 P Pd |
---|---|
Calculated formula | C32 H37 Cl2 N2 O2 P Pd |
SMILES | [Pd]1(Cl)(Cl)[P@](c2ccccc2[C@H]2N1[C@H](CO2)C(C)(C)C)(c1ccccc1C1=N[C@H](CO1)C(C)(C)C)c1ccccc1 |
Title of publication | {Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II) |
Authors of publication | Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 11 |
Pages of publication | m487 - m490 |
a | 10.2172 ± 0.0013 Å |
b | 13.358 ± 0.0018 Å |
c | 22.858 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3119.7 ± 0.7 Å3 |
Cell temperature | 83 ± 2 K |
Ambient diffraction temperature | 83 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013719.html
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