Information card for entry 2013718

Structure parameters

• Formula: C37 H46 F6 N2 O2 P2 Pd
• Calculated formula: C37 H46 F6 N2 O2 P2 Pd
• SMILES: [Pd]1234([P](c5ccccc5C5=[N]1[C@H](CO5)C(C)(C)C)(c1ccccc1C1=[N]2[C@H](CO1)C(C)(C)C)c1ccccc1)[CH](C)=[CH]3[CH]4C.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.3152 ± 0.0013 Å
• b: 13.5764 ± 0.0017 Å
• c: 13.8415 ± 0.0018 Å
• α: 90°
• β: 96.345 ± 0.002°
• γ: 90°
• Cell volume: 1926.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes