Information card for entry 4076142

Structure parameters

• Formula: C14 H22 N4 Pd
• Calculated formula: C14 H22 N4 Pd
• SMILES: CC(C)(C)[N]1=CC=[N]([Pd]21[CH](C#N)=[CH]2C#N)C(C)(C)C
• Title of publication: Palladium(0)-Alkene Bis(triarylphosphine) Complexes as Catalyst Precursors for the Methoxycarbonylation of Styrene
• Authors of publication: de Pater, Jeroen J. M.; Tromp, D. S.; Tooke, Duncan M.; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard; Elsevier, Cornelis J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6411
• a: 11.812 ± 0.005 Å
• b: 14.33 ± 0.03 Å
• c: 10.703 ± 0.005 Å
• α: 90°
• β: 120.42 ± 0.05°
• γ: 90°
• Cell volume: 1562 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No